SCHEMBL4469347

SCHEMBL4469347

Clc1ccc(-c2ccc(C#Cc3cc(Br)cs3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.42
CHRM1 P11229 4/20 0.40
HTR2A P28223 3/20 0.40
CYP2D6 P10635 1/20 0.40
LTA4H P09960 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4471137 0.85 MCHR1 (0.41) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL4475382 0.77 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL5198373 0.70 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6RAB9A
SCHEMBL2322584 0.68 MCHR1 (0.45) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL2324515 0.68 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL4481796 0.68 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4518553 0.67 MCHR1 (0.47) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL2322615 0.67 LTA4H (0.43) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL20448759 0.67 LTA4H (0.43) MCHR1CHRM1HTR2ACYP2D6LTA4H
SCHEMBL3859184 0.66 EGLN1 (0.46) 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 4 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
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 MCHR1 1/4885CHRM1 125/4885HTR2A 161/4885

“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.