SCHEMBL21026310

SCHEMBL21026310

COCCN1CCCN(CC2CN(C(C)(C)C)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
PSMB1 P20618 2/20 0.31
PSMB5 P28074 2/20 0.31
PSMB2 P49721 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19959068 0.87 ALDH1A1 (0.34) KDM4ENPC1ALDH1A1CHRM5ADRA2C
SCHEMBL22296947 0.84 HSD11B1 (0.37) HSD11B1GBA1NPC1CHRM5ADRA2C
SCHEMBL26419154 0.83 CHRM5 (0.41) CHRM5ADRA2C
SCHEMBL21664721 0.81 HSD11B1 (0.35) HSD11B1GBA1NPC1CHRM5ADRA2C
SCHEMBL19959071 0.81 KCNH2 (0.36) ALDH1A1
SCHEMBL25728588 0.80 ACHE (0.35) HSD11B1NPC1ALDH1A1CHRM5ADRA2C
SCHEMBL26419153 0.80 CHRM5 (0.46) CHRM5ADRA2C
SCHEMBL20234755 0.78 ALDH1A1 (0.32) HSD11B1GBA1ALDH1A1
SCHEMBL21341636 0.78 ALDH1A1 (0.32) HSD11B1GBA1ALDH1A1
SCHEMBL26029865 0.78 ALDH1A1 (0.32) HSD11B1GBA1ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230338371-A1 PHARMACEUTICAL COMPOSITIONS OF PROTAC COMPOUNDS AND USES THEREOF Shenzhen Pharmacin Co., Ltd. (CN) 2023-10-26 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 US disclosed
US-11220515-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2022-01-11 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2019-08-01 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (12 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-11220515-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N HSD11B1 4159/4885GBA1 3275/4885KDM4E 498/4885
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HSD11B1 4059/4885GBA1 3178/4885KDM4E 1071/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 HSD11B1 4225/4885GBA1 3209/4885KDM4E 1613/4885
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN HSD11B1 4164/4885GBA1 796/4885KDM4E 1466/4885
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 HSD11B1 2752/4885GBA1 2964/4885KDM4E 1787/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL HSD11B1 2365/4885GBA1 4507/4885KDM4E 1438/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL HSD11B1 4420/4885GBA1 1682/4885KDM4E 2053/4885
US-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N HSD11B1 4159/4885GBA1 3275/4885KDM4E 498/4885
US-20230338371-A1 PHARMACEUTICAL COMPOSITIONS OF PROTAC COMPOUNDS AND USES THEREOF ADRM1, PSMC1, UBE3C HSD11B1 2982/4885GBA1 2384/4885KDM4E 1923/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL HSD11B1 4209/4885GBA1 1431/4885KDM4E 1254/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL HSD11B1 3595/4885GBA1 2126/4885KDM4E 1205/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL HSD11B1 4420/4885GBA1 1682/4885KDM4E 2053/4885

“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.