SCHEMBL4592191

SCHEMBL4592191

NCCCc1ccc(-c2ccc(Cl)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.48
HTR2A P28223 10/20 0.48
CHRM1 P11229 8/20 0.48
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LTA4H P09960 1/20 0.37
KCNH2 Q12809 1/20 0.37
CASP1 P29466 1/20 0.36
SYK P43405 1/20 0.35
AKT2 P31751 1/20 0.34

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
SCHEMBL4592777 0.83 LMNA (0.45) MCHR1HTR2ACHRM1NPC1MAPT
SCHEMBL4591859 0.83 MCHR1 (0.48) MCHR1HTR2ACHRM1MAOBNPC1
SCHEMBL4592094 0.81 MCHR1 (0.46) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL4592464 0.81 MAOB (0.38) MCHR1HTR2ACHRM1MAOBNPC1
SCHEMBL4592220 0.80 MCHR1 (0.55) MCHR1HTR2ACHRM1MAOBNPC1
SCHEMBL5426112 0.80 CHRM1 (0.41) MCHR1HTR2ACHRM1NPC1MAPT
SCHEMBL4592496 0.80 HTR2A (0.50) MCHR1HTR2ACHRM1MAOBNOTUM
SCHEMBL27738907 0.79 MCHR1 (0.47) MCHR1HTR2ACHRM1MAOBNPC1
SCHEMBL17826979 0.75 SMN1; SMN2 (0.43) MCHR1HTR2ACHRM1MAOBNPC1
SCHEMBL4592126 0.73 MCHR1 (0.69) MCHR1HTR2ACHRM1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
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
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.