SCHEMBL3857726

SCHEMBL3857726

O=C(C#Cc1ccc(-c2ccccc2)cc1Br)Nc1ccc(CCN2CCCC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.43
CHRM1 P11229 1/20 0.43
HTR3A P46098 1/20 0.41
KDR P35968 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL3859115 0.91 KDM4E (0.40)
SCHEMBL3866481 0.88 TRPV1 (0.36) MCHR1CHRM1HTR3AFPR3FPR2
SCHEMBL13683780 0.82 ALDH1A1 (0.45) MCHR1HTR3AKDR
SCHEMBL13683468 0.81 MCHR1 (0.40) MCHR1KDR
Hydrochloric Acid SCHEMBL3858490 0.80 MCHR1 (0.39) MCHR1KDR
SCHEMBL13683418 0.76 MCHR1 (0.65) MCHR1CHRM1HTR3A
Hydrochloric Acid SCHEMBL3863262 0.75 MCHR1 (0.64) MCHR1CHRM1HTR3A
SCHEMBL3858128 0.72 MCHR1 (0.65) MCHR1CHRM1HTR3A
SCHEMBL3861648 0.71 MCHR1 (0.76) MCHR1CHRM1
SCHEMBL3859191 0.70 TRPV1 (0.44) CHRM1

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 MCHR1 1/4885CHRM1 103/4885HTR3A 801/4885

“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.