SCHEMBL3869304

SCHEMBL3869304

O=C(C#Cc1ccc(CN2CC[C@@H](O)C2)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.72
CHRM1 P11229 5/20 0.72
TP53 P04637 1/20 0.46
HTR2A P28223 4/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GPR183 P32249 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
JAK1 P23458 4/20 0.42
CACNA1G O43497 1/20 0.41

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
SCHEMBL3857997 0.94 MCHR1 (0.78) MCHR1CHRM1TP53HTR2ADRD2
SCHEMBL3856766 0.87 CHRM1 (0.77) MCHR1CHRM1TP53HTR2ADRD2
SCHEMBL3865017 0.87 CHRM1 (0.77) MCHR1CHRM1TP53HTR2ADRD2
SCHEMBL3859239 0.85 MCHR1 (0.98) MCHR1CHRM1HTR2AGPR183CACNA1G
SCHEMBL3857803 0.84 CHRM1 (0.73) MCHR1CHRM1TP53HTR2ADRD2
SCHEMBL3866261 0.84 CHRM1 (0.73) MCHR1CHRM1TP53HTR2ADRD2
SCHEMBL3861798 0.84 MCHR1 (0.79) MCHR1CHRM1HTR2ADRD2GPR183
SCHEMBL3867053 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183
SCHEMBL3866519 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2AGPR183
SCHEMBL3866721 0.83 CHRM1 (0.72) MCHR1CHRM1TP53HTR2AGPR183

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 103/4885TP53 4665/4885

“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.