SCHEMBL8154135

SCHEMBL8154135

COc1cccc(-c2ccc3c(c2)CCNC3=O)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.69
PARP11 Q9NR21 9/20 0.69
GRM5 P41594 2/20 0.67
MAPKAPK2 P49137 1/20 0.67
CHEK1 O14757 1/20 0.52
CD274 Q9NZQ7 1/20 0.51
PGR P06401 1/20 0.47
FGFR1 P11362 1/20 0.47
PDE4B Q07343 1/20 0.47
PARP1 P09874 2/20 0.46
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
SCHEMBL8161680 0.87 PARP11 (0.68) PARP10PARP11GRM5MAPKAPK2PARP1
SCHEMBL8323443 0.84 GRM5 (0.67) PARP10PARP11GRM5MAPKAPK2PARP1
SCHEMBL379341 0.84 GRM5 (0.67) PARP10PARP11GRM5MAPKAPK2PARP1
SCHEMBL12230826 0.83 PARP10 (0.56) PARP10PARP11GRM5MAPKAPK2PARP1
SCHEMBL8156296 0.82 PARP10 (1.00) PARP10PARP11GRM5MAPKAPK2PGR
SCHEMBL8155722 0.81 PARP11 (1.00) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL504530 0.81 GRM5 (1.00) PARP10PARP11GRM5MAPKAPK2
SCHEMBL20956992 0.80 TNIK (0.56) MAPKAPK2CHEK1CD274PGR
SCHEMBL3989419 0.80 CYP11B1 (0.55) MAPKAPK2CHEK1CD274
SCHEMBL29546603 0.79 PGR (0.54) PARP10PARP11GRM5MAPKAPK2CHEK1

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-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 US disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 PARP10 2146/4885PARP11 3085/4885GRM5 1/4885

“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.