SCHEMBL2515085

SCHEMBL2515085

CC1(C)CN(c2cnc(I)cn2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.51
OPRL1 P41146 6/20 0.38
OPRM1 P35372 5/20 0.38
AR P10275 1/20 0.36
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL2520587 0.80 GRM5 (0.60) GRM5OPRL1OPRM1AR
SCHEMBL2516774 0.76 GRM5 (0.45) GRM5OPRL1OPRM1ARPIP4K2A
SCHEMBL2517074 0.74 GRM5 (0.56) GRM5
SCHEMBL2556629 0.72 GRM5 (0.35) GRM5
SCHEMBL12287841 0.72 GRM5 (0.79) GRM5
SCHEMBL12235108 0.71 GRM5 (0.67) GRM5OPRL1OPRM1
SCHEMBL12285718 0.70 GRM5 (0.67) GRM5
SCHEMBL2518615 0.69 GRM5 (0.45) GRM5OPRL1OPRM1ARPIP4K2A
SCHEMBL12287843 0.69 GRM5 (0.70) GRM5
SCHEMBL2516590 0.68 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
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-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-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 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
CN-102947289-A Arylethynyl derivatives HOFFMANN LA ROCHE 2013-02-27 CN 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
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 (3 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-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 GRM5 1/4885OPRL1 69/4885OPRM1 131/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 GRM5 1/4885OPRL1 61/4885OPRM1 43/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 GRM5 1/4885OPRL1 61/4885OPRM1 43/4885

“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.