SCHEMBL3856770

SCHEMBL3856770

CCN(CC)CCc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
LMNA P02545 1/20 0.41
ACACB O00763 1/20 0.39
MCHR1 Q99705 3/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ERBB4 Q15303 2/20 0.38
EPHX2 P34913 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
CHEK1 O14757 1/20 0.37
CCR2 P41597 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL3865140 0.89 ACACB (0.45) TRPV1ALDH1A1CTDSP1LMNAACACB
SCHEMBL3861755 0.87 TRPV1 (0.46) TRPV1ACACBMCHR1EPHX2NR1H4
SCHEMBL14209599 0.85 TRPV1 (0.49) TRPV1ALDH1A1ACACBEPHX2NR1H4
SCHEMBL3863405 0.85 ALDH1A1 (0.47) TRPV1ALDH1A1CTDSP1LMNAACACB
SCHEMBL3859195 0.84 KDR (0.48) TRPV1ALDH1A1CTDSP1MCHR1MRGPRX4
SCHEMBL13683436 0.84 MAOA (0.44) TRPV1ALDH1A1CTDSP1MCHR1MRGPRX4
SCHEMBL13683421 0.83 HRH3 (0.48) TRPV1ALDH1A1CTDSP1LMNAACACB
Formic Acid SCHEMBL3865254 0.83 ALDH1A1 (0.45) TRPV1ALDH1A1CTDSP1LMNAACACB
SCHEMBL3858066 0.82 ACACB (0.46) TRPV1ALDH1A1CTDSP1ACACBMCHR1
Formic Acid SCHEMBL3858506 0.82 MAOA (0.42) TRPV1ALDH1A1CTDSP1MCHR1MRGPRX4

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 1200/4885ALDH1A1 4302/4885CTDSP1 4753/4885

“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.