SCHEMBL4478813

SCHEMBL4478813

CC(=O)c1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCC(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.70
CHRM1 P11229 5/20 0.70
HTR2A P28223 5/20 0.70
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL4491776 0.92 MCHR1 (0.70) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4481899 0.89 MCHR1 (0.64) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4469433 0.88 MCHR1 (0.62) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL2328706 0.87 MCHR1 (0.76) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4476476 0.86 MCHR1 (0.72) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4486685 0.86 MCHR1 (0.73) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4488570 0.85 MCHR1 (0.70) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4478722 0.85 MCHR1 (0.73) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL13708515 0.84 MCHR1 (0.69) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4472111 0.84 MCHR1 (0.69) MCHR1CHRM1HTR2ACYP2D6CYP1A2

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-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
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US 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.