SCHEMBL4544738

SCHEMBL4544738

Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 1/20 0.47
AKR1C3 P42330 1/20 0.46
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.42
DHFR P00374 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24787970 0.89 MAPT (0.56) ADRB1MAPTNPSR1
SCHEMBL10063748 0.84 ADRB1 (0.70) ADRB1MEN1KMT2AHSD11B1AKR1C3
SCHEMBL3414344 0.84 ADRB1 (0.70) ADRB1MEN1KMT2AHSD11B1AKR1C3
SCHEMBL7105773 0.84 ADRB1 (0.70) ADRB1MEN1KMT2AHSD11B1AKR1C3
SCHEMBL1709030 0.82 MAPT (0.57) MEN1KMT2AHSD11B1AKR1C3MAPT
SCHEMBL24421700 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL10245388 0.82 HTR3E (0.52) ADRB1MEN1KMT2AHSD11B1AKR1C3
SCHEMBL24021661 0.82 AKR1C3 (0.45) ADRB1KMT2AAKR1C3MAPTLMNA
SCHEMBL1476346 0.82 MAPT (0.62) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL13141223 0.82 HSD11B1 (0.50) HSD11B1MAPTLMNAHTTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 US disclosed
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 US disclosed
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL ADRB1 3699/4885MEN1 2317/4885KMT2A 1975/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ADRB1 3986/4885MEN1 2168/4885KMT2A 2172/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 ADRB1 1471/4885MEN1 4680/4885KMT2A 3284/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL ADRB1 3745/4885MEN1 2168/4885KMT2A 1473/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 ADRB1 476/4885MEN1 4873/4885KMT2A 1875/4885
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN ADRB1 4656/4885MEN1 2669/4885KMT2A 2044/4885
US-20210283265-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 ADRB1 4011/4885MEN1 4042/4885KMT2A 1091/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ADRB1 933/4885MEN1 4873/4885KMT2A 2475/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL ADRB1 3684/4885MEN1 3927/4885KMT2A 2593/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 ADRB1 4701/4885MEN1 2342/4885KMT2A 622/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL ADRB1 4581/4885MEN1 1376/4885KMT2A 754/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ADRB1 933/4885MEN1 4873/4885KMT2A 2475/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL ADRB1 4691/4885MEN1 2058/4885KMT2A 1443/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL ADRB1 3745/4885MEN1 2168/4885KMT2A 1473/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ADRB1 4512/4885MEN1 3929/4885KMT2A 1823/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.