SCHEMBL5228477

SCHEMBL5228477

Cc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCC1(NC2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.56
CHRM1 P11229 4/20 0.56
HTR2A P28223 3/20 0.43
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACACB O00763 2/20 0.35

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
SCHEMBL5228039 0.86 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4489001 0.83 MCHR1 (0.63) MCHR1CHRM1HTR2ACYP2D6LMNA
SCHEMBL5226162 0.81 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL6418908 0.80 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL4485106 0.80 MCHR1 (0.57) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL6370264 0.79 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL5230618 0.79 MCHR1 (0.53) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL6366208 0.79 MCHR1 (0.53) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL6366203 0.79 MCHR1 (0.54) MCHR1CHRM1HTR2ACYP2D6CYP1A2
SCHEMBL6366084 0.79 MCHR1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737824-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 EP disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005103032-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 49/4885HTR2A 157/4885

“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.