SCHEMBL5129146

SCHEMBL5129146

Cc1ccccc1N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
AR P10275 1/20 0.43
AVPR1A P37288 9/20 0.40
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL5124116 0.89 GRM5 (0.46) GRM5ADRB1KMT2A
SCHEMBL5128492 0.84 GRM5 (0.43) GRM5
SCHEMBL5129681 0.81 GRM5 (0.46) GRM5AVPR1ANPSR1
SCHEMBL5122918 0.81 GRM5 (0.54) GRM5ADRB1ALDH1A1
SCHEMBL5124137 0.80 GRM5 (0.50) GRM5ADRB1ALDH1A1
SCHEMBL5125859 0.80 GRM5 (0.47) GRM5ADRB1ALDH1A1
SCHEMBL5122183 0.79 GRM5 (0.43) GRM5
SCHEMBL5128572 0.79 GRM5 (0.49) GRM5
SCHEMBL5120508 0.78 GRM5 (0.41) GRM5
SCHEMBL5129376 0.78 GRM5 (0.46) GRM5KMT2A

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
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 US disclosed
EP-1856107-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS Novartis AG (CH) 2007-11-21 EP disclosed
WO-2006089700-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS NOVARTIS AG (CH) 2006-08-31 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885AR 2249/4885AVPR1A 166/4885

“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.