SCHEMBL1644125

SCHEMBL1644125

Oc1ccc(C#Cc2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.57
FFAR1 O14842 3/20 0.51
APP P05067 1/20 0.50
MAPT P10636 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
HNF4A P41235 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL1642973 0.78 GRM5 (0.61) GRM5FFAR1APPMAPTEGLN1
SCHEMBL1907982 0.75 GRM5 (0.52) GRM5FFAR1APPMAPT
SCHEMBL1642511 0.75 PIK3CA (0.56) GRM5FFAR1APPMAPT
SCHEMBL16466525 0.75 GRM5 (0.52) GRM5FFAR1APPMAPTADORA2A
SCHEMBL4319348 0.75 CYP1A2 (0.55) GRM5FFAR1APPMAPT
SCHEMBL30772300 0.75 CYP1A2 (0.55) GRM5FFAR1APPMAPT
SCHEMBL2520705 0.75 GRM5 (0.52) GRM5FFAR1APPMAPTADORA2A
SCHEMBL10847901 0.75 FFAR1 (0.57) GRM5FFAR1APPMAPTADORA2A
SCHEMBL1643058 0.75 FFAR1 (0.64) GRM5FFAR1APPMAPTEGLN1
SCHEMBL2114741 0.74 APP (0.92) GRM5FFAR1APPMAPTHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRM5 1/4885FFAR1 153/4885APP 2560/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRM5 1/4885FFAR1 153/4885APP 2560/4885

“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.