SCHEMBL2893109

SCHEMBL2893109

CC(C)(C)OC(=O)N1CC=C(C#N)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.58
PDK4 Q16654 1/20 0.47
GRM1 Q13255 8/20 0.46
ESR2 Q92731 1/20 0.46
NAMPT P43490 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
NR1H2 P55055 1/20 0.42
HTR6 P50406 1/20 0.41
JAK1 P23458 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2891556 0.85 GRM5 (0.58) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL2738120 0.85 GRM5 (0.45) GRM5PDK4ESR2NAMPTGPR119
SCHEMBL2893138 0.84 GRM5 (0.63) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL20001581 0.81 GRM5 (0.60) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL3348910 0.81 GRM5 (0.66) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL743098 0.80 GRM5 (0.58) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL15991177 0.80 GRM5 (0.58) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL941018 0.79 GRM5 (0.61) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL13804065 0.79 PDK4 (0.49) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL3997777 0.79 GRM5 (0.49) GRM5PDK4GRM1ESR2NAMPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
WO-2013127808-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-06 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013041042-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 GRM5 2373/4885PDK4 1307/4885GRM1 1699/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 GRM5 2325/4885PDK4 1285/4885GRM1 1491/4885
US-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B GRM5 26/4885PDK4 638/4885GRM1 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.