SCHEMBL5118732

SCHEMBL5118732

OC1(C#Cc2cccc(Cl)c2)CCN(c2cc(Cl)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
ALDH1A1 P00352 1/20 0.38
MAP3K14 Q99558 2/20 0.38
MAOB P27338 1/20 0.37
HTR6 P50406 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGES O14684 1/20 0.37
PTPN11 Q06124 1/20 0.36

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
SCHEMBL5121780 0.91 GRM5 (0.41) GRM5ALDH1A1MAP3K14MAOBHTR6
SCHEMBL5129798 0.91 GRM5 (0.43) GRM5MAP3K14
SCHEMBL5119696 0.89 ALDH1A1 (0.50) GRM5ALDH1A1
SCHEMBL5114539 0.88 ADRB1 (0.46) GRM5ALDH1A1
SCHEMBL5129125 0.86 GRM5 (0.43) GRM5ALDH1A1MAP3K14PTGES
SCHEMBL5129376 0.85 GRM5 (0.46) GRM5MAP3K14
SCHEMBL5128709 0.84 GRM5 (0.43) GRM5MAP3K14PTGESPTPN11
SCHEMBL5114711 0.84 GRM5 (0.46) GRM5MAP3K14PTGES
SCHEMBL5129624 0.83 GRM5 (0.45) GRM5MAP3K14HTR6PTGES
SCHEMBL5118315 0.83 HTR3E (0.45) GRM5ALDH1A1MAP3K14PTGES

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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885ALDH1A1 908/4885MAP3K14 2105/4885

“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.