SCHEMBL10190815

SCHEMBL10190815

Cc1ccc(C#Cc2ccc3c(c2)CCNC3=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.78
PARP10 Q53GL7 6/20 0.69
PARP11 Q9NR21 5/20 0.69
PARP1 P09874 2/20 0.56
PDPK1 O15530 1/20 0.46

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
SCHEMBL504553 0.87 GRM5 (1.00) GRM5PARP10PARP11PARP1
SCHEMBL504253 0.87 GRM5 (1.00) GRM5PARP10PARP11PARP1PDPK1
SCHEMBL504523 0.85 GRM5 (0.78) GRM5PARP10PARP11PARP1PDPK1
SCHEMBL504325 0.85 GRM5 (1.00) GRM5PARP10PARP11PARP1
SCHEMBL504324 0.85 GRM5 (0.76) GRM5PARP10PARP11PARP1PDPK1
SCHEMBL504342 0.85 GRM5 (0.79) GRM5PARP10PARP11
SCHEMBL505174 0.85 GRM5 (0.71) GRM5PARP10PARP11PARP1PDPK1
SCHEMBL504652 0.83 GRM5 (1.00) GRM5PARP10PARP11
SCHEMBL279903 0.82 PARP10 (1.00) GRM5PARP10PARP11PARP1PDPK1
SCHEMBL29978302 0.82 PARP10 (1.00) GRM5PARP10PARP11PARP1PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 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 (2 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-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885PARP10 2146/4885PARP11 3085/4885
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885PARP10 2146/4885PARP11 3085/4885

“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.