SCHEMBL4479307

SCHEMBL4479307

COC[C@@H]1CCCN1CCOc1ccc(C#Cc2ncc(-c3ccc(Cl)cc3)cc2F)cc1C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.65
CHRM1 P11229 5/20 0.65
HTR2A P28223 4/20 0.55
TLR7 Q9NYK1 1/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNB1 P11230 3/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNB3 Q05901 3/20 0.39
SLC6A9 P48067 2/20 0.38
CYP2D6 P10635 1/20 0.36
CHRNA7 P36544 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LTA4H P09960 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
SCHEMBL4479316 1.00 MCHR1 (0.65) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4482386 0.92 MCHR1 (0.54) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4482390 0.92 MCHR1 (0.54) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4486878 0.92 MCHR1 (0.77) MCHR1CHRM1HTR2ACHRNB4CHRNA3
SCHEMBL4486874 0.92 MCHR1 (0.77) MCHR1CHRM1HTR2ACHRNB4CHRNA3
SCHEMBL4472146 0.90 MCHR1 (0.68) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4472151 0.90 MCHR1 (0.68) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4491992 0.87 MCHR1 (0.83) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4483876 0.87 MCHR1 (0.83) MCHR1CHRM1HTR2ATLR7CHRNB4
SCHEMBL4483868 0.87 MCHR1 (0.83) MCHR1CHRM1HTR2ATLR7CHRNB4

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-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US claimed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed

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.