SCHEMBL1642525

SCHEMBL1642525

O=C1OCCN1Cc1ncc(C#Cc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.44
GRM2 Q14416 1/20 0.39

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
SCHEMBL1643527 0.85 FFAR1 (0.47) GRM5
SCHEMBL6885194 0.82 IL4I1 (0.53) GRM2
SCHEMBL1644490 0.78 FFAR1 (0.45) GRM5GRM2
SCHEMBL1902361 0.78 FFAR1 (0.51) GRM5
SCHEMBL17111508 0.73 NTRK1 (0.45) GRM2
SCHEMBL531434 0.72 GRM2 (0.52) GRM2
SCHEMBL14480816 0.72 SCN1A (0.56) GRM5
SCHEMBL4519506 0.70 GRM2 (0.51) GRM2
SCHEMBL20695806 0.70 KDM4E (0.44) GRM2
SCHEMBL6888436 0.69 FAAH (0.45) GRM2

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 19 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 claimed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US claimed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP claimed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO claimed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 US claimed
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-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US 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-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 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
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
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
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 1/4885GRM2 3/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRM5 1/4885GRM2 3/4885

“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.