SCHEMBL2516161

SCHEMBL2516161

CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 1.00

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
SCHEMBL2516795 0.89 GRM5 (1.00) GRM5
SCHEMBL2518233 0.88 GRM5 (1.00) GRM5
SCHEMBL2518354 0.85 GRM5 (1.00) GRM5
SCHEMBL2518845 0.84 GRM5 (1.00) GRM5
SCHEMBL2524522 0.84 GRM5 (1.00) GRM5
SCHEMBL2571334 0.83 GRM5 (0.96) GRM5
SCHEMBL2520396 0.81 GRM5 (1.00) GRM5
SCHEMBL14694227 0.81 GRM5 (0.93) GRM5
SCHEMBL13519053 0.80 GRM5 (0.67) GRM5
SCHEMBL2518795 0.80 GRM5 (1.00) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP claimed
US-8618296-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US claimed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US claimed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US claimed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
US-20140155602-A1 Arlethynyl Derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20140155602-A1 Arlethynyl Derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-8618296-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20130178456-A1 ARYLETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178456-A1 ARYLETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178456-A1 ARYLETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 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 (4 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-20130178456-A1 ARYLETHYNYL DERIVATIVES GRM5, GRM1, GRM3 GRM5 1/4885
US-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 GRM5 1/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 GRM5 1/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 GRM5 1/4885

“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.