SCHEMBL4427381

SCHEMBL4427381

COC(=O)[C@@H]1CNC(=O)C[C@@H]1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.46
SLC6A4 P31645 4/20 0.46
RECQL P46063 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 3/20 0.43

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
SCHEMBL4425103 1.00 SLC6A3 (0.46) SLC6A3SLC6A4RECQLCA1CA2
SCHEMBL4425092 1.00 SLC6A3 (0.46) SLC6A3SLC6A4RECQLCA1CA2
SCHEMBL4425098 1.00 SLC6A3 (0.46) SLC6A3SLC6A4RECQLCA1CA2
SCHEMBL1096906 0.86 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2
SCHEMBL6693157 0.86 GAA (0.44) SLC6A3SLC6A4FPR1FPR2
SCHEMBL8343491 0.86 MAPT (0.44) SLC6A3RECQLFPR1FPR2ALDH1A1
SCHEMBL4436586 0.86 MAPT (0.44) SLC6A3RECQLFPR1FPR2ALDH1A1
SCHEMBL4436580 0.86 MAPT (0.44) SLC6A3RECQLFPR1FPR2ALDH1A1
SCHEMBL4436582 0.86 MAPT (0.44) SLC6A3RECQLFPR1FPR2ALDH1A1
SCHEMBL6693160 0.86 GAA (0.44) SLC6A3SLC6A4FPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC6A3 1840/4885SLC6A4 418/4885RECQL 2579/4885

“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.