SCHEMBL4428619

SCHEMBL4428619

COC(=O)CC(c1ccc(F)cc1)C(C#N)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 4/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.45
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALPG P10696 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
KCNA5 P22460 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1096969 0.86 KCNA5 (0.51) ALDH1A1KMT2ASMN1; SMN2KCNA5GAA
SCHEMBL1105718 0.85 KCNA5 (0.40) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL6576846 0.83 SMN1; SMN2 (0.44) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL19972301 0.82 ALDH1A1 (0.36) ALDH1A1HTTMAPTKMT2A
SCHEMBL2472205 0.81 ALDH1A1 (0.54) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL14920601 0.81 HTT (0.34) ALDH1A1HTTMAPTKMT2AKCNA5
SCHEMBL1096505 0.79 KCNA5 (0.37) ALDH1A1KMT2ALMNASMN1; SMN2KCNA5
SCHEMBL10452002 0.78 KMT2A (0.51) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL8423984 0.77 SMN1; SMN2 (0.46) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL756201 0.77 HTT (0.32) ALDH1A1HTTMAPTKMT2AHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002346-A1 CRYSTALLINE SINGLE DIASTEREOMERS OF 2-CYANO-3-ARYLGLUTARATE ESTERS SMITHKLINE BEECHAM PLC (GB) 2001-01-11 WO claimed
JP-11292847-A None JP disclosed
EP-0812827-B1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMITOMO CHEMICAL CO (JP) 2009-09-02 EP disclosed
US-6815548-B2 MINTERMEDIATE FOR PHARMACEUTICALS SUCH AS PAROXETINE USEFUL AS ANTIDEPRESSANTS, REPRESENTED BY THE GENERAL FORMULA (I): SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-11-09 US disclosed
EP-1394160-A1 Process for preparing crystalline paroxetin hydrochloride SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1384720-A1 Process for drying paroxetine hydrochloride SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-28 EP disclosed
EP-1384711-A1 Optical resolution of a piperidine derivative SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-28 EP disclosed
US-6610851-B1 1-tert-butoxycarbonyl-4-(4-fluorophenyl)-3-((3,4-methylene dioxyphenyl)oxymethyl)piperidine; reacting 4-(4-fluorophenyl)-3-hydroxymethylpiperidine with di-tert-butyl dicarbonate to form the carbamate; 3,4-methylenedioxyphenol SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-08-26 US disclosed
US-20030144519-A1 Process for preparing a piperidine derivative SUMIKA FINE CHEMICALS CO., LTD. 2003-07-31 US disclosed
US-6476227-B1 Piperidine derivative and process for preparing the same SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-11-05 US disclosed
WO-2001002346-A1 CRYSTALLINE SINGLE DIASTEREOMERS OF 2-CYANO-3-ARYLGLUTARATE ESTERS SMITHKLINE BEECHAM PLC (GB) 2001-01-11 WO disclosed
JP-H11292847-A PRODUCTION OF PIPERIDINE DERIVATIVE SUMIKA FINE CHEMICALS CO LTD 1999-10-26 JP disclosed
US-5948914-A PREPARING 4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE BY OPTICALLY RESOLVING WITH O-CHLOROTARTRANILIC ACID; CHEMICAL INTERMEDIATE FOR DRUGS SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-09-07 US disclosed
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 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 (1 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-20030144519-A1 Process for preparing a piperidine derivative TPH1, TPH2, HTR7 ALDH1A1 1068/4885HTT 1773/4885MAPT 3264/4885

“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.