SCHEMBL2520587

SCHEMBL2520587

CC1(C)CN(c2ccc(I)cn2)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.60
AR P10275 1/20 0.38
OPRL1 P41146 6/20 0.37
OPRM1 P35372 4/20 0.37

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
SCHEMBL2521454 0.85 GRM5 (0.53) GRM5OPRL1
SCHEMBL2516774 0.81 GRM5 (0.45) GRM5AROPRL1OPRM1
SCHEMBL2515085 0.80 GRM5 (0.51) GRM5AROPRL1OPRM1
SCHEMBL2520679 0.79 OPRL1 (0.45) GRM5OPRL1OPRM1
SCHEMBL12235108 0.78 GRM5 (0.67) GRM5OPRL1OPRM1
SCHEMBL2518176 0.76 GRM5 (0.60) GRM5
SCHEMBL2516590 0.75 GRM5 (1.00) GRM5
SCHEMBL2518298 0.75 GRM5 (0.62) GRM5
SCHEMBL2518095 0.75 GRM5 (0.61) GRM5
SCHEMBL2560735 0.73 GRM5 (0.40) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 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
EP-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO 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
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 1/4885AR 536/4885OPRL1 61/4885
US-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 GRM5 1/4885AR 267/4885OPRL1 69/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 GRM5 1/4885AR 536/4885OPRL1 61/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 GRM5 1/4885AR 536/4885OPRL1 61/4885

“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.