SCHEMBL2603284

SCHEMBL2603284

CC(C)N1CCCC(O)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KAT2B Q92831 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 2/20 0.32
DPP4 P27487 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL681966 1.00 CA12 (0.39) CA12CA1CA2CA9DRD2
SCHEMBL12014997 1.00 CA12 (0.39) CA12CA1CA2CA9DRD2
SCHEMBL25955969 0.93 TSHR (0.38) CA12CA1CA2CA9DRD2
SCHEMBL25956229 0.93 TSHR (0.38) CA12CA1CA2CA9DRD2
SCHEMBL21145795 0.93 TSHR (0.38) CA12CA1CA2CA9DRD2
SCHEMBL2737401 0.86
SCHEMBL105168 0.86
SCHEMBL438971 0.86
SCHEMBL20673015 0.84 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL23103245 0.83 CA12 (0.37) CA12CA1CA2CA9ALDH1A1

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 208 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-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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
CN-117106741-A Alcohol dehydrogenase mutant and application thereof 清华大学 2023-11-24 CN disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP 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 (7 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CA12 4488/4885CA1 2572/4885CA2 4367/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CA12 3675/4885CA1 4246/4885CA2 3802/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CA12 4746/4885CA1 4454/4885CA2 4442/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CA12 4822/4885CA1 4794/4885CA2 4409/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 CA12 3217/4885CA1 4280/4885CA2 2118/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 CA12 4621/4885CA1 2732/4885CA2 2489/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP CA12 4611/4885CA1 4421/4885CA2 4251/4885

“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.