SCHEMBL832445

SCHEMBL832445

[CH2]CCc1cccc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
KCNH2 Q12809 3/20 0.41
NOS1 P29475 1/20 0.39
HSD17B3 P37058 1/20 0.38
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL6194712 0.88 KCNH2 (0.47) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL30201993 0.86 CCR1 (0.52) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL24916774 0.86 CCR1 (0.52) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL10144469 0.84 KCNH2 (0.54) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL1515200 0.82
SCHEMBL427622 0.80 KCNH2 (0.52) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL1028715 0.78 IRAK4 (0.47) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL1632272 0.78 SMN1; SMN2 (0.45) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL12144269 0.78 NOS2 (0.46) SMN1; SMN2CCR1CCR8KDM1AMAOA
SCHEMBL16565657 0.78 SMN1; SMN2 (0.45) SMN1; SMN2CCR1CCR8KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262183-B2 Substituted 5-membered n-heterocyclic compounds and their uses for treating or preventing neurodegenerative diseases Instititute of Pharmacology and Toxicology (CN) 2007-08-28 US claimed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
CN-101379041-A Tricyclic N-heteroaryl-amide derivatives containing benzimidazole structural units, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-03-04 CN disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
CN-1422851-A Substituted five-membered nitrogen heterocyclic compound and application thereof in preventing and treating neurodegenerative diseases TOXICANT AND MEDICINE INST MIL (CN) 2003-06-11 CN disclosed
EP-1066307-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
EP-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-2000012522-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-03-09 WO disclosed
US-6020521-A Macrolide LHRH antagonists ABBOTT LABORATORIES (US) 2000-02-01 US disclosed
US-5972898-A ERYTHROMYCIN A DERIVATIVES AS LUTENIZING HORMONE RELEASING HORMONE (LHRH) ANTAGONISTS, AND METHODS OF THEIR PREPARATION ABBOTT LABORATORIES (US) 1999-10-26 US disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
WO-1999050276-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
US-5955440-A 3'-N-DESMETHYL-3'-N-SUBSTITUTED-6-O-METHYL-11-DEOXY-11,12-CYCL IC CARBAMATE ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1999-09-21 US disclosed
CN-1209803-A Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method therefor BRISTOL MYERS SQUIBB CO (US) 1999-03-03 CN 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 SMN1; SMN2 3560/4885CCR1 2776/4885CCR8 2922/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS SMN1; SMN2 3750/4885CCR1 2664/4885CCR8 2785/4885

“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.