SCHEMBL5128709

SCHEMBL5128709

OC1(C#Cc2cccc(Cl)c2)CCN(c2cc(Cl)cc(Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
PTGES O14684 1/20 0.42
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
PTPN11 Q06124 3/20 0.36
MAP3K14 Q99558 2/20 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
SCHEMBL5118315 0.89 HTR3E (0.45) GRM5PTGESMAP3K14
SCHEMBL5115129 0.86 HTR2A (0.42) GRM5PTGESPTPN11MAP3K14
SCHEMBL5124317 0.85 GRM5 (0.45) GRM5PTGESMAP3K14
SCHEMBL5118732 0.84 GRM5 (0.44) GRM5PTGESPTPN11MAP3K14
SCHEMBL5129125 0.82 GRM5 (0.43) GRM5PTGESENPP2ATXN2MAP3K14
SCHEMBL5128572 0.82 GRM5 (0.49) GRM5PTGESMAP3K14
SCHEMBL5124137 0.81 GRM5 (0.50) GRM5PTGES
SCHEMBL5119696 0.81 ALDH1A1 (0.50) GRM5
SCHEMBL5114711 0.81 GRM5 (0.46) GRM5PTGESMAP3K14
SCHEMBL5122918 0.80 GRM5 (0.54) GRM5

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 589/4885ENPP2 1487/4885

“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.