SCHEMBL3863299

SCHEMBL3863299

O=C(C#Cc1ccc(CN2CCCC2)cc1)NCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.74
CHRM1 P11229 6/20 0.74
HTR2A P28223 5/20 0.61
CYP2D6 P10635 1/20 0.54
GPR183 P32249 2/20 0.50
LSS P48449 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
ACACB O00763 1/20 0.46

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
SCHEMBL3861763 0.99 MCHR1 (0.76) MCHR1CHRM1HTR2ACYP2D6GPR183
SCHEMBL3859584 0.88 MCHR1 (0.59) MCHR1CHRM1HTR2AGPR183HRH3
SCHEMBL3859239 0.86 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6GPR183
SCHEMBL3867053 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6GPR183
SCHEMBL3866519 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6GPR183
SCHEMBL3866497 0.83 MCHR1 (0.50) MCHR1CHRM1HTR2AALDH1A1ACACB
SCHEMBL3863480 0.80 MCHR1 (0.71) MCHR1CHRM1HTR2ACYP2D6GPR183
SCHEMBL3870522 0.79 MCHR1 (0.68) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3879688 0.79 MCHR1 (0.68) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3863301 0.77 MCHR1 (0.62) MCHR1CHRM1HTR2ACYP2D6GPR183

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 2 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-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 103/4885HTR2A 565/4885

“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.