SCHEMBL16309574

SCHEMBL16309574

N#Cc1ccc(COc2cc3n(n2)CCN(C(=O)c2cccc(F)c2)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.65
CYP3A4 P08684 2/20 0.52
USP2 O75604 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL16309571 0.92 GRM5 (0.69) GRM5
SCHEMBL16309543 0.91 GRM5 (0.71) GRM5
SCHEMBL16309596 0.90 GRM5 (0.62) GRM5
SCHEMBL16309575 0.90 GRM5 (0.62) GRM5
SCHEMBL16309443 0.89 GRM5 (0.71) GRM5
SCHEMBL16309533 0.88 GRM5 (0.67) GRM5
SCHEMBL16309546 0.88 GRM5 (0.72) GRM5
SCHEMBL16309550 0.86 GRM5 (0.73) GRM5
SCHEMBL16309400 0.85 GRM5 (0.75) GRM5
SCHEMBL16309591 0.85 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 3 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
WO-2013192346-A9 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-12-18 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-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 GRM5 1/4885CYP3A4 2637/4885USP2 3827/4885

“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.