SCHEMBL4491056

SCHEMBL4491056

Cc1cc(N(C)C)nc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.41
CHRM1 P11229 4/20 0.41
HTR2A P28223 3/20 0.40
CYP2D6 P10635 1/20 0.40
ADK P55263 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL13887257 0.90 MCHR1 (0.39) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4494989 0.87 MCHR1 (0.44) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL13887284 0.86 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4486161 0.85 MCHR1 (0.42) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL13887238 0.84 ALDH1A1 (0.46) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL13887273 0.84 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL13887271 0.83 MCHR1 (0.41) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4491030 0.82 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL4464964 0.82 MCHR1 (0.46) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL13887272 0.82 MCHR1 (0.42) MCHR1CHRM1HTR2ACYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
EP-1737839-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 EP disclosed
US-20050267115-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005103029-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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-20050267115-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 49/4885HTR2A 157/4885

“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.