SCHEMBL16704522

SCHEMBL16704522

Cc1ccc(C(=O)N2CCn3nc(OCc4ncccn4)cc3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.56
HDAC6 Q9UBN7 1/20 0.46
SLC6A7 Q99884 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL16309590 0.89 GRM5 (0.64) GRM5
SCHEMBL16704488 0.89 GRM5 (0.56) GRM5KDM4E
SCHEMBL16704480 0.88 GRM5 (0.54) GRM5HDAC6
SCHEMBL16704469 0.87 GRM5 (0.59) GRM5
SCHEMBL16704491 0.86 GRM5 (0.53) GRM5HDAC6KDM4E
SCHEMBL16704497 0.86 GRM5 (0.53) GRM5
SCHEMBL16704485 0.85 GRM5 (0.54) GRM5HDAC6
SCHEMBL16704482 0.85 GRM5 (0.54) GRM5HDAC6
SCHEMBL16704490 0.85 GRM5 (0.60) GRM5HDAC6
SCHEMBL16704472 0.85 GRM5 (0.53) GRM5HDAC6

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-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS UNIV VANDERBILT (US) 2015-08-06 US disclosed
US-9029366-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 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-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 GRM5 1/4885HDAC6 1188/4885SLC6A7 410/4885

“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.