SCHEMBL16704491

SCHEMBL16704491

Cc1ccc(C(=O)N2CCn3nc(OCc4ccncc4)cc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.53
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL16704539 0.94 GRM5 (0.46) GRM5HTTKDM4EALDH1A1POLB
SCHEMBL16704480 0.94 GRM5 (0.54) GRM5HDAC6
SCHEMBL16704469 0.91 GRM5 (0.59) GRM5
SCHEMBL16704472 0.90 GRM5 (0.53) GRM5HDAC6
SCHEMBL16309477 0.90 GRM5 (0.63) GRM5
SCHEMBL16704486 0.90 GRM5 (0.50) GRM5HDAC6
SCHEMBL16704497 0.89 GRM5 (0.53) GRM5ALDH1A1
SCHEMBL16309405 0.89 GRM5 (0.62) GRM5
SCHEMBL16704477 0.89 GRM5 (0.62) GRM5
SCHEMBL16309480 0.88 GRM5 (0.62) 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 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 1/4885HTT 628/4885KDM4E 1440/4885

“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.