SCHEMBL1753500

SCHEMBL1753500

CN1CCC2(CC1)CN(C)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NEK2 P51955 1/20 0.32

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
SCHEMBL1753720 0.90 CYP3A4 (0.42) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL1753694 0.88 USP2 (0.39) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL1753491 0.88 USP2 (0.44) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL16573817 0.83
SCHEMBL1753867 0.83 TSHR (0.43) TSHRCYP1A2NEK2
SCHEMBL4547459 0.81
SCHEMBL23798709 0.80 USP2 (0.36) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL20218197 0.80 USP2 (0.32) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL17012735 0.80 USP2 (0.32) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL1753469 0.80 USP2 (0.53) CYP3A4CYP2D6TSHRCYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed
WO-2024130690-A1 ETHYLENEDIAMINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏普莱医药生物技术有限公司 2024-06-27 WO disclosed
WO-2024130689-A1 2-FLUOROBIPHENYL-4-ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏普莱医药生物技术有限公司 2024-06-27 WO disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 WO disclosed
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 WO disclosed
WO-2024104455-A1 CDK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 山东绿叶制药有限公司 2024-05-23 WO disclosed
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042669-A2 DERIVATIVES OF 4-AMINO-QUINAZOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFIS-AVENTIS (FR) 2007-04-19 WO 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 (5 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-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL CYP3A4 4353/4885CYP2D6 4703/4885TSHR 3851/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CYP3A4 1637/4885CYP2D6 831/4885TSHR 468/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R CYP3A4 2263/4885CYP2D6 1062/4885TSHR 388/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 CYP3A4 2763/4885CYP2D6 3061/4885TSHR 2915/4885
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR CYP3A4 338/4885CYP2D6 261/4885TSHR 693/4885

“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.