SCHEMBL12440523

SCHEMBL12440523

Brc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3)nc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.69
LTA4H P09960 3/20 0.64
PTGS2 P35354 1/20 0.64
HRH3 Q9Y5N1 6/20 0.58
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
KDM4E B2RXH2 1/20 0.50
HRH1 P35367 1/20 0.49

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
SCHEMBL12440251 0.87 MCHR1 (0.78) MCHR1LTA4HPTGS2HRH3CYP2D6
SCHEMBL14039753 0.87 MCHR1 (0.78) MCHR1LTA4HPTGS2HRH3CYP2D6
SCHEMBL14767387 0.87 ESR1 (0.63) MCHR1LTA4HHRH3CYP2D6CHRM1
SCHEMBL12439956 0.87 LTA4H (0.64) MCHR1LTA4HHRH3CYP2D6CHRM1
SCHEMBL12441100 0.87 MCHR1 (0.69) MCHR1LTA4HHRH3CYP2D6CHRM1
SCHEMBL12440472 0.86 MCHR1 (0.77) MCHR1LTA4HPTGS2HRH3CYP2D6
SCHEMBL12440372 0.85 MCHR1 (0.74) MCHR1LTA4HPTGS2HRH3CYP2D6
SCHEMBL12441449 0.84 MCHR1 (0.57) MCHR1LTA4HHRH3CYP2D6CHRM1
SCHEMBL12439972 0.84 LTA4H (0.67) MCHR1LTA4HHRH3CYP2D6CHRM1
SCHEMBL229697 0.83 LTA4H (0.90) MCHR1LTA4HPTGS2HRH3ATM

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
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885LTA4H 2076/4885PTGS2 3528/4885

“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.