SCHEMBL3863181

SCHEMBL3863181

O=C(C#Cc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(OCCn2cnnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
NOS1 P29475 2/20 0.41
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
EPHX2 P34913 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
TBXAS1 P24557 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACACB O00763 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HTR2A P28223 1/20 0.37
FLT3 P36888 1/20 0.37
LMNA P02545 1/20 0.37
CETP P11597 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL13683424 0.90 NOS1 (0.56) NOS1TBXAS1SMN1; SMN2ACACBLMNA
SCHEMBL3858158 0.84 LMNA (0.44) TRPV1NOS1BRAFMAPK14EPHX2
SCHEMBL3867230 0.83 HRH3 (0.52) TRPV1BRAFMRGPRX4ACACBHRH3
SCHEMBL13683421 0.82 HRH3 (0.48) TRPV1MRGPRX4SMN1; SMN2ACACBHRH3
SCHEMBL13683425 0.82 KDM4E (0.46) BRAFMAPK14EPHX2HRH3HTR2A
SCHEMBL3862658 0.78 ACACB (0.44) TRPV1MRGPRX4SMN1; SMN2ACACBHTR2A
SCHEMBL3862748 0.74 HTR2A (0.49) BRAFMAPK14EPHX2HTR2A
SCHEMBL3857754 0.74 KDM4E (0.45) TRPV1LMNA
SCHEMBL3858066 0.73 ACACB (0.46) TRPV1MRGPRX4SMN1; SMN2ACACBCETP
SCHEMBL3859158 0.73 MAPK14 (0.50) BRAFMAPK14EPHX2HTR2A

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 TRPV1 1200/4885NOS1 514/4885BRAF 4878/4885

“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.