SCHEMBL3863480

SCHEMBL3863480

O=C(C#Cc1ccc(CN2CCCC2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.71
CHRM1 P11229 7/20 0.71
NPC1 O15118 1/20 0.47
HTR2A P28223 6/20 0.47
GPR183 P32249 2/20 0.46
CYP2D6 P10635 1/20 0.45
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
EEF2K O00418 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL3861666 0.91 MCHR1 (0.58) MCHR1CHRM1HTR2AGPR183CHRM4
SCHEMBL13683394 0.90 MCHR1 (0.57) MCHR1CHRM1HTR2AGPR183CHRM4
SCHEMBL3859239 0.84 MCHR1 (0.98) MCHR1CHRM1NPC1HTR2AGPR183
SCHEMBL3861187 0.84 CHRM1 (0.50) MCHR1CHRM1HTR2A
SCHEMBL3867053 0.83 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183CYP2D6
SCHEMBL3866519 0.83 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183CYP2D6
SCHEMBL3860626 0.81 MCHR1 (0.69) MCHR1CHRM1NPC1HTR2ACYP2D6
SCHEMBL3875726 0.80 MCHR1 (0.71) MCHR1CHRM1NPC1HTR2A
SCHEMBL3863299 0.80 MCHR1 (0.74) MCHR1CHRM1HTR2AGPR183CYP2D6
SCHEMBL3861763 0.79 MCHR1 (0.76) MCHR1CHRM1HTR2AGPR183CYP2D6

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MCHR1 1/4885CHRM1 103/4885NPC1 1101/4885

“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.