SCHEMBL4592220

SCHEMBL4592220

COc1ccc(-c2ccc(CCCN)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.55
HTR2A P28223 4/20 0.55
CHRM1 P11229 3/20 0.55
MAPT P10636 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
HRH2 P25021 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAOB P27338 2/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 1/20 0.41
SYK P43405 1/20 0.40
TP53 P04637 1/20 0.40

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) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4592191 0.80 MCHR1 (0.48) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591859 0.80 MCHR1 (0.48) MCHR1HTR2ACHRM1NPC1RAB9A
SCHEMBL17826982 0.79 MAPT (0.56) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL5426112 0.79 CHRM1 (0.41) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591105 0.79 MCHR1 (0.77) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL5431764 0.78 MCHR1 (0.55) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4591645 0.78 MCHR1 (0.48) MCHR1HTR2ACHRM1MAPTNPC1
SCHEMBL4592094 0.78 MCHR1 (0.46) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL5429472 0.76 MCHR1 (0.74) MCHR1HTR2ACHRM1MAPTNPC1

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.