SCHEMBL4591105

SCHEMBL4591105

COc1ccc(-c2ccc(CCCNc3ccc(CN)cc3)nn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.77
HTR2A P28223 7/20 0.77
CHRM1 P11229 6/20 0.77
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
APP P05067 1/20 0.44
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 1/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL5429472 0.87 MCHR1 (0.74) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591118 0.83 MCHR1 (0.69) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591182 0.83 MCHR1 (0.69) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591650 0.83 MCHR1 (0.69) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4592187 0.82 MCHR1 (1.00) MCHR1HTR2ACHRM1
SCHEMBL4592220 0.79 MCHR1 (0.55) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591565 0.79 MCHR1 (0.80) MCHR1HTR2ACHRM1
SCHEMBL14503852 0.78 MCHR1 (0.81) MCHR1HTR2ACHRM1
SCHEMBL5421737 0.77 MCHR1 (0.61) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL5420311 0.74 MCHR1 (0.61) MCHR1HTR2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (1 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885HTR2A 66/4885CHRM1 84/4885

“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.