SCHEMBL4478709

SCHEMBL4478709

OC1(C(F)(F)F)CCN(CCOc2ccc(C#Cc3cnc(-c4ccc(Cl)cc4)cn3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.80
HTR2A P28223 5/20 0.56
CHRM1 P11229 4/20 0.56
CYP2D6 P10635 1/20 0.56
DRD2 P14416 2/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
CXCR1 P25024 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL4493173 0.89 MCHR1 (1.00) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL4491926 0.88 MCHR1 (0.77) MCHR1HTR2ACHRM1CYP2D6DRD2
SCHEMBL4480482 0.86 MCHR1 (0.80) MCHR1HTR2ACHRM1CYP2D6DRD2
SCHEMBL2322194 0.85 MCHR1 (1.00) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL5151568 0.84 MCHR1 (0.68) MCHR1HTR2ACHRM1CYP2D6DRD2
SCHEMBL4493035 0.82 MCHR1 (0.80) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL4487455 0.81 MCHR1 (0.75) MCHR1HTR2ACHRM1CYP2D6DRD2
SCHEMBL4479059 0.77 MCHR1 (0.70) MCHR1HTR2ACHRM1CYP2D6ACACB
SCHEMBL4493828 0.77 MCHR1 (0.77) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL2327544 0.77 MCHR1 (0.78) MCHR1HTR2ACHRM1CYP2D6

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 7 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
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 1/4885HTR2A 161/4885CHRM1 125/4885

“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.