SCHEMBL1642973

SCHEMBL1642973

Oc1ncc(C#Cc2ccccc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.61
APP P05067 1/20 0.55
FFAR1 O14842 2/20 0.46
ADORA2A P29274 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
MAPT P10636 1/20 0.43
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41

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
SCHEMBL1644125 0.78 GRM5 (0.57) GRM5APPFFAR1ADORA2AEGLN1
SCHEMBL403731 0.77 GRM5 (0.61) GRM5APPFFAR1ADORA2AMAPT
SCHEMBL2520701 0.77 GRM5 (0.62) GRM5APPFFAR1ADORA2AMAPT
SCHEMBL17705931 0.77 GRM5 (0.62) GRM5APPADORA2A
SCHEMBL13516538 0.77 GRM5 (0.61) GRM5APPFFAR1ADORA2AMAPT
SCHEMBL13388227 0.77 GRM5 (0.55) GRM5APPFFAR1EGLN1
SCHEMBL4860070 0.76 GRM5 (1.00) GRM5APPMAPT
Diphenylacetylene SCHEMBL960609 0.74 APP (1.00) GRM5APPFFAR1MAPT
Diphenylacetylene SCHEMBL29188592 0.74 APP (1.00) GRM5APPFFAR1MAPT
Diphenylacetylene SCHEMBL68254 0.74 APP (1.00) GRM5APPFFAR1MAPT

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 1/4885APP 2560/4885FFAR1 153/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRM5 1/4885APP 2560/4885FFAR1 153/4885

“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.