SCHEMBL5124317

SCHEMBL5124317

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.45
PTGES O14684 1/20 0.39
MAP3K14 Q99558 4/20 0.37

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
SCHEMBL5124137 0.88 GRM5 (0.50) GRM5PTGES
SCHEMBL5122918 0.87 GRM5 (0.54) GRM5
SCHEMBL5129624 0.87 GRM5 (0.45) GRM5PTGESMAP3K14
SCHEMBL5125859 0.86 GRM5 (0.47) GRM5PTGES
SCHEMBL5128709 0.85 GRM5 (0.43) GRM5PTGESMAP3K14
SCHEMBL5130025 0.84 GRM5 (0.44) GRM5PTGESMAP3K14
SCHEMBL5118315 0.84 HTR3E (0.45) GRM5PTGESMAP3K14
SCHEMBL5117988 0.83 GRM5 (0.46) GRM5PTGESMAP3K14
SCHEMBL5115831 0.82 GRM5 (0.43) GRM5MAP3K14
SCHEMBL5123311 0.81 DRD2 (0.50) GRM5PTGESMAP3K14

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 1/4885PTGES 589/4885MAP3K14 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.