SCHEMBL3645858

SCHEMBL3645858

c1csc(C2CCNC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR3A P46098 1/20 0.38
PRKCZ Q05513 1/20 0.34
BAZ2A Q9UIF9 1/20 0.33
PRKCI P41743 1/20 0.33
HPGDS O60760 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 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
SCHEMBL31370737 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR3APRKCZ
Hydrochloric Acid SCHEMBL3795018 0.98 CHRM2 (0.45) CHRM2CHRM1CHRM3HTR3APRKCZ
SCHEMBL4005386 0.89 CHRM2 (0.41) CHRM2CHRM1CHRM3BAZ2AHPGDS
SCHEMBL1047447 0.89 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDSMEN1
Hydrochloric Acid SCHEMBL3646616 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDSMEN1
Hydrochloric Acid SCHEMBL30720711 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDSMEN1
Trifluoroacetic Acid SCHEMBL350087 0.85 HRH4 (0.43) CHRM2CHRM1CHRM3BAZ2A
SCHEMBL26126165 0.84
Hydrochloric Acid SCHEMBL29001991 0.82 CHRNB4 (0.40) CHRM2CHRM1CHRM3HTR3AHTR2C
Hydrochloric Acid SCHEMBL28984941 0.82 CHRNB4 (0.40) CHRM2CHRM1CHRM3HTR3AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329816-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US claimed
EP-2736337-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-06-04 EP claimed
WO-2013016488-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF DOMINGUEZ CELIA (US) 2013-01-31 WO claimed
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2025-06-05 US disclosed
US-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2025-02-13 US disclosed
US-20240174670-A1 4-AMINO-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9649310-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-05-16 US disclosed
US-20160361312-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2016-12-15 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 WO disclosed
CN-101243074-A Heterocyclic compounds JAPAN TOBACCO INC (JP) 2008-08-13 CN disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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 (10 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 CHRM2 731/4885CHRM1 639/4885CHRM3 657/4885
US-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS BECN1, TFEB, SQSTM1 CHRM2 4523/4885CHRM1 4550/4885CHRM3 3968/4885
US-20140329816-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CHRM2 920/4885CHRM1 1245/4885CHRM3 902/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 CHRM2 731/4885CHRM1 639/4885CHRM3 657/4885
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK3 CHRM2 3831/4885CHRM1 3646/4885CHRM3 4039/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CHRM2 4565/4885CHRM1 4464/4885CHRM3 3512/4885
US-20160361312-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CHRM2 920/4885CHRM1 1245/4885CHRM3 902/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 CHRM2 844/4885CHRM1 1512/4885CHRM3 637/4885
US-20240174670-A1 4-AMINO-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 NLRP3, NLRP1, PYCARD CHRM2 2455/4885CHRM1 1812/4885CHRM3 2658/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CHRM2 3055/4885CHRM1 2766/4885CHRM3 3613/4885

“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.