SCHEMBL4436582

SCHEMBL4436582

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
SLC18A2 Q05940 3/20 0.43
HTR2A P28223 2/20 0.43
SLC6A3 Q01959 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4436580 1.00 MAPT (0.44) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL4436586 1.00 MAPT (0.44) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL8343491 1.00 MAPT (0.44) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6693183 1.00 MAPT (0.44) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6688197 0.90 MAPT (0.40) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6688180 0.90 MAPT (0.40) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6688175 0.90 MAPT (0.40) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6688177 0.90 MAPT (0.40) MAPTPKMSLC18A2HTR2ASLC6A3
SCHEMBL6691364 0.88 PDE4A (0.42) SLC18A2HTR2ASLC6A3PDE4APDE4B
SCHEMBL6691356 0.88 PDE4A (0.42) SLC18A2HTR2ASLC6A3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6590102-B1 Hydrogenation of 2-cyano-3-(p-fluorophenyl)glutaric acid diethyl ester in the presence of catalysts to prepare isomer mixtures of ethyl 4-(p-fluorophenyl)-6-oxo-3-piperidine -carboxylate, used as intermediates of paroxetine ASAHI GLASS COMPANY LTD. (JP) 2003-07-08 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-6476228-B1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 2002-11-05 US disclosed
US-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives PENTECH PHARMACEUTICALS, INC. 2001-12-20 US disclosed
EP-0802185-B1 Process for producing piperidinecarbinols ASAHI GLASS CO LTD (JP) 2001-10-17 EP disclosed
US-6197960-B1 REDUCTION OF CYANOGLUTARIC ACID; CYCLIZATION, ISOMERIZATION ASAHI GLASS COMPANY LTD. (JP) 2001-03-06 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
EP-0802185-A1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 1997-10-22 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-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives ADH1C, CBR1, MAL2 MAPT 4854/4885PKM 1172/4885SLC18A2 3615/4885
US-20030144519-A1 Process for preparing a piperidine derivative TPH1, TPH2, HTR7 MAPT 3264/4885PKM 303/4885SLC18A2 536/4885

“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.