SCHEMBL3031908

SCHEMBL3031908

CCN(CC)CCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP51A1 Q16850 1/20 0.43
HRH1 P35367 2/20 0.41

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
SCHEMBL27971485 0.84 HRH1 (0.53) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11133065 0.84 KCNH2 (0.52) CYP3A4CYP2D6CHRM2HTR1AADRA2A
SCHEMBL4001727 0.81 KDM4E (0.47) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27971600 0.80 LOXL2 (0.42) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12853924 0.79 CYP1A2 (0.61) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL443493 0.77 OPRM1 (0.69) CYP1A2CYP2D6CYP2C9CYP2C19CHRM2
SCHEMBL12909824 0.77 TAAR1 (0.50) CYP3A4CYP2D6CHRM2HTR1AADRA2A
SCHEMBL210990 0.77 TAAR1 (0.60) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6637369 0.77 HRH3 (0.60) LOXL2ALDH1A1TDP1KDM4EGAA
SCHEMBL5179723 0.77 CYP1A2 (0.49) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
EP-2173747-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
CN-101687865-A A regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
CN-101687815-A Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
WO-2009000412-A1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI AVENTIS (FR) 2008-12-31 WO claimed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
US-4402843-A Viscosity index improvers with dispersant properties prepared by reaction of lithiated hydrogenated copolymers with 4-substituted aminopyridines PHILLIPS PETROLEUM COMPANY (US) 1983-09-06 US claimed
EP-3279996-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2018-12-26 EP disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP disclosed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US disclosed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP disclosed
US-4402843-A Viscosity index improvers with dispersant properties prepared by reaction of lithiated hydrogenated copolymers with 4-substituted aminopyridines PHILLIPS PETROLEUM COMPANY (US) 1983-09-06 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 (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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB LOXL2 4605/4885CYP1A2 20/4885CYP3A4 91/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH LOXL2 4792/4885CYP1A2 92/4885CYP3A4 43/4885

“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.