SCHEMBL4760197

SCHEMBL4760197

CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](COS(C)(=O)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
GPR119 Q8TDV5 8/20 0.45
PDE4B Q07343 3/20 0.44
MMP13 P45452 1/20 0.43
TACR1 P25103 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
RORC P51449 2/20 0.40

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
SCHEMBL6694621 1.00 SCN9A (0.49) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL18345004 1.00 SCN9A (0.49) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL4436548 1.00 SCN9A (0.49) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL5459736 1.00 SCN9A (0.49) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL6689948 0.91 SCN9A (0.48) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL6689639 0.91 SCN9A (0.48) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL6689951 0.91 SCN9A (0.48) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL6848976 0.91 SCN9A (0.48) SCN9AGPR119PDE4BMMP13TACR1
SCHEMBL4710969 0.90 TACR1 (0.49) SCN9AGPR119PDE4BTACR1RORC
SCHEMBL29450269 0.89 STS (0.49) SCN9AGPR119PDE4BMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1966137-A2 PIPERIDINE DERIVATIVES Pfizer Products Inc. (US) 2008-09-10 EP disclosed
WO-2007072150-A2 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070142389-A1 PIPERIDINE DERIVATIVES PFIZER INC. (US) 2007-06-21 US 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
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 (2 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-20070142389-A1 PIPERIDINE DERIVATIVES CFTR, HDAC10, RPP30 SCN9A 1243/4885GPR119 216/4885PDE4B 975/4885
US-20030144519-A1 Process for preparing a piperidine derivative TPH1, TPH2, HTR7 SCN9A 1539/4885GPR119 1859/4885PDE4B 2857/4885

“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.