SCHEMBL4591859

SCHEMBL4591859

NCCCc1ccc(-c2ccc(F)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.48
HTR2A P28223 8/20 0.48
CHRM1 P11229 7/20 0.48
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SYK P43405 1/20 0.35
ALOX5 P09917 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
SCHEMBL4592464 0.84 MAOB (0.38) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL4592191 0.83 MCHR1 (0.48) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL4592777 0.83 LMNA (0.45) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL4592094 0.81 MCHR1 (0.46) MCHR1HTR2ACHRM1KMT2A
SCHEMBL4591958 0.80 ALPL (0.39) MCHR1HTR2ACHRM1
SCHEMBL5426112 0.80 CHRM1 (0.41) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL4592496 0.80 HTR2A (0.50) MCHR1HTR2ACHRM1MAOBALDH1A1
SCHEMBL4592220 0.80 MCHR1 (0.55) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL17826983 0.75 NPC1 (0.47) MCHR1HTR2ACHRM1RAB9ANPC1
SCHEMBL31434644 0.75 RAB9A (0.47) MCHR1HTR2ACHRM1RAB9ANPC1

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.