SCHEMBL1722536

SCHEMBL1722536

N#C/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
FBP1 P09467 1/20 0.53
ENPP2 Q13822 1/20 0.51
P4HB P07237 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 7/20 0.44
MAOA P21397 2/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1722537 1.00 NFE2L2 (0.56) NFE2L2FBP1ENPP2P4HBMEN1
SCHEMBL2319221 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL2319217 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL10355224 0.82 ENPP2 (0.51) NFE2L2FBP1ENPP2MEN1LMNA
SCHEMBL3594422 0.81 RPS6KA3 (0.45) NFE2L2FBP1ENPP2KDM4E
SCHEMBL3594419 0.81 RPS6KA3 (0.45) NFE2L2FBP1ENPP2KDM4E
SCHEMBL13790316 0.79 NFE2L2 (0.82) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL9108500 0.79 POLB (0.49) NFE2L2NPSR1L3MBTL1
SCHEMBL9108496 0.79 POLB (0.49) NFE2L2NPSR1L3MBTL1
SCHEMBL14749829 0.78 ENPP2 (0.47) NFE2L2ENPP2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN claimed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN claimed
WO-2025099741-A1 PROCESS FOR THE PREPARATION OF NITROSAMINE FREE CINACALCET AND SALTS THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2025-05-15 WO disclosed
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN disclosed
EP-3164386-B1 PIPERIDINONE HERBICIDES FMC CORP (US) 2020-10-07 EP disclosed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN disclosed
WO-2018184891-A1 4-SUBSTITUTED N-AMINO AND N-HYDROXY 2-OXO-PIPERIDINE-3-CARBOXAMIDE DERIVATIVES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-10-11 WO disclosed
WO-2018178010-A1 N-CYCLOPROPYL-2-OXO-4-PHENYL-PIPERIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HERBICIDAL PLANT PROTECTION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-10-04 WO disclosed
WO-2018178012-A1 N-BENZYL-2-OXO-4-PHENYL-PIPERIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HERBICIDAL PLANT PROTECTION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-10-04 WO disclosed
EP-2406211-B1 A NEW METHOD FOR THE PREPARATION OF CINACALCET AND NEW INTERMEDIATES THEREOF MEGAFINE PHARMA P LTD (IN) 2018-06-27 EP disclosed
US-9944602-B2 Piperidinone herbicides FMC CORPORATION 2018-04-17 US disclosed
EP-1915335-A2 PROCESS FOR THE PREPARATION OF CINACALCET BASE Teva Pharmaceutical Industries Ltd (IL) 2008-04-30 EP disclosed
EP-1881954-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-30 EP disclosed
WO-2007127445-A2 PROCESS FOR THE PREPARATION OF CINACALCET BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
WO-2007127449-A1 PROCESS FOR THE PREPARATION OF CINACALCET BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
US-20070259964-A1 Process for the preparation of cinacalcet base TEVA PHARMACEUTICALS USA, INC. 2007-11-08 US disclosed
US-20070260091-A1 Process for the preparation of cinacalcet base TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 US disclosed
US-7250533-B2 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2007-07-31 US disclosed
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-02-22 US disclosed
WO-2006125026-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-11-23 WO 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-20070259964-A1 Process for the preparation of cinacalcet base KRAS, CA9, CA4 NFE2L2 3975/4885FBP1 2538/4885ENPP2 2342/4885
US-20070260091-A1 Process for the preparation of cinacalcet base KRAS, CA9, SI NFE2L2 4177/4885FBP1 2561/4885ENPP2 2293/4885
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride SI, PRCP, CA9 NFE2L2 4160/4885FBP1 2546/4885ENPP2 900/4885

“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.