SCHEMBL3858066

SCHEMBL3858066

CCN(CC)Cc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
MCHR1 Q99705 3/20 0.43
RORC P51449 1/20 0.43
CETP P11597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MTOR P42345 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3865140 0.90 ACACB (0.45) ACACBTRPV1MCHR1RORCCETP
SCHEMBL3867230 0.84 HRH3 (0.52) ACACBTRPV1MCHR1ALDH1A1CTDSP1
SCHEMBL13683421 0.83 HRH3 (0.48) ACACBTRPV1MCHR1ALDH1A1MAPT
SCHEMBL3856770 0.82 TRPV1 (0.47) ACACBTRPV1MCHR1ALDH1A1MAPT
SCHEMBL3863405 0.81 ALDH1A1 (0.47) ACACBTRPV1MCHR1RORCALDH1A1
SCHEMBL13683747 0.81 AVPR2 (0.54) MCHR1CETPMAPK1MEN1CYP3A4
SCHEMBL3859195 0.80 KDR (0.48) TRPV1MCHR1RORCALDH1A1CTDSP1
SCHEMBL13683436 0.80 MAOA (0.44) TRPV1MCHR1RORCALDH1A1CTDSP1
SCHEMBL13683423 0.79 CHRM1 (0.57) MCHR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13683420 0.79 TRPV1 (0.43) ACACBTRPV1MCHR1CETPALDH1A1

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 3 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-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 ACACB 992/4885TRPV1 1200/4885MCHR1 1/4885

“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.