SCHEMBL4592169

SCHEMBL4592169

NCCCc1ccc(OCc2ccc(F)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MCHR1 Q99705 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
FFAR1 O14842 1/20 0.37
APP P05067 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4592109 0.85 MCHR1 (0.47) MAOBMCHR1RAB9AFFAR1
SCHEMBL3005540 0.76 MAOB (0.45) MAOBMCHR1RAB9AFFAR1APP
SCHEMBL4591932 0.75 HTT (0.39) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL2997865 0.73 APP (0.51) MAOBIDO1AGXTNPC1RAB9A
SCHEMBL4592482 0.73 NNMT (0.39) MAOBMCHR1TAAR1FFAR1CA12
SCHEMBL4591834 0.73 NPC1 (0.37) MCHR1NPC1RAB9AFFAR1MEN1
SCHEMBL16853290 0.72 HRH1 (0.42) TAAR1RAB9AFFAR1
SCHEMBL4591859 0.71 MCHR1 (0.48) MAOBMCHR1TAAR1NPC1RAB9A
SCHEMBL21503592 0.69 MAOB (0.59) MAOBIDO1AGXTAPPCA12
SCHEMBL3003570 0.69 MCHR1 (0.66) MCHR1NPC1RAB9AMEN1KMT2A

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 MAOB 137/4885MCHR1 1/4885TAAR1 96/4885

“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.