SCHEMBL2518174

SCHEMBL2518174

CC(C)(C)[C@H]1CN(c2ccc(I)cn2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.63
NPY5R Q15761 1/20 0.33
MTOR P42345 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL2518171 1.00 GRM5 (0.63) GRM5NPY5RMTORGRM2
SCHEMBL12234360 0.81 GRM5 (0.69) GRM5NPY5R
SCHEMBL2518072 0.78 GRM5 (1.00) GRM5
SCHEMBL2518073 0.78 GRM5 (1.00) GRM5
SCHEMBL12212405 0.74 GRM5 (0.65) GRM5
SCHEMBL12212412 0.74 GRM5 (0.65) GRM5
SCHEMBL2514976 0.74 GRM5 (0.65) GRM5
SCHEMBL2520768 0.70 GRM5 (0.63) GRM5
SCHEMBL2520770 0.70 GRM5 (0.63) GRM5
SCHEMBL2516558 0.69 GRM5 (0.62) 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 11 patents. 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
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-8513273-B2 Arylethynyl derivatives HOFFMANN-LAROCHE INC. (US) 2013-08-20 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
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

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 1/4885NPY5R 41/4885MTOR 2482/4885
US-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 GRM5 1/4885NPY5R 54/4885MTOR 2347/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 GRM5 1/4885NPY5R 41/4885MTOR 2482/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 GRM5 1/4885NPY5R 41/4885MTOR 2482/4885

“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.