SCHEMBL6360454

SCHEMBL6360454

OC[C@@H]1CCCN1CC1C=Cc2cc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)ccc2O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.59
CHRM1 P11229 4/20 0.59
HTR2A P28223 3/20 0.59
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 4/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL6362118 0.85 MCHR1 (0.44) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL5223719 0.76 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL4494047 0.75 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL4494039 0.75 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL4470474 0.74 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4470467 0.74 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL2322093 0.74 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6362109 0.73 MCHR1 (0.40) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4478530 0.73 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL4478537 0.73 MCHR1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267120-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.