SCHEMBL4493191

SCHEMBL4493191

CC1CCN(CCOc2ccc(C#Cc3ncc(-c4ccc(Cl)cc4)cc3Cl)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.83
CHRM1 P11229 4/20 0.83
HTR2A P28223 4/20 0.83
SIGMAR1 Q99720 3/20 0.60
CYP2D6 P10635 2/20 0.57
KDM4E B2RXH2 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL4493988 0.91 MCHR1 (0.81) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4493074 0.91 MCHR1 (0.81) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4487720 0.91 MCHR1 (0.80) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL2322339 0.91 MCHR1 (1.00) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL13708524 0.89 MCHR1 (0.77) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4489594 0.89 MCHR1 (0.77) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4474307 0.89 MCHR1 (0.77) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4480164 0.85 MCHR1 (0.72) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL2322592 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2ASIGMAR1CYP2D6
SCHEMBL4466752 0.85 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6HRH3

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 8 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
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.