SCHEMBL4477259

SCHEMBL4477259

Cc1cc(Cl)ccc1-c1cnc(N)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.49
FEN1 P39748 18/20 0.49
NOTUM Q6P988 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
SCHEMBL11376072 0.83 FEN1 (0.51) ALOX5APFEN1
SCHEMBL4476354 0.83 HSP90AA1 (0.51) ALOX5APFEN1
SCHEMBL4469264 0.80 NOTUM (0.41) ALOX5APFEN1NOTUM
SCHEMBL15916237 0.80 FEN1 (0.63) ALOX5APFEN1
SCHEMBL15915844 0.80 FEN1 (0.58) ALOX5APFEN1
SCHEMBL6075537 0.78 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL6074920 0.78 ALOX5AP (0.50) ALOX5APFEN1
SCHEMBL384692 0.78 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL6075362 0.77 NOS3 (0.48) ALOX5APFEN1
SCHEMBL4475272 0.76 NOTUM (0.38) ALOX5APFEN1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALOX5AP 1638/4885FEN1 4773/4885NOTUM 2244/4885

“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.