SCHEMBL4429628

SCHEMBL4429628

OC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 4/20 0.56
CYP3A4 P08684 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A2 P23975 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2B P41595 3/20 0.51
SLC6A3 Q01959 3/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
SCN5A Q14524 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.51
CACNA1F O60840 1/20 0.51
MPO P05164 1/20 0.51
ADRB2 P07550 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL1096634 1.00 GRK2 (0.56) GRK2CYP3A4SLC6A4SLC6A2HTR2A
SCHEMBL1945968 1.00 GRK2 (0.56) GRK2CYP3A4SLC6A4SLC6A2HTR2A
SCHEMBL4428153 1.00 GRK2 (0.56) GRK2CYP3A4SLC6A4SLC6A2HTR2A
SCHEMBL7035325 1.00 GRK2 (0.56) GRK2CYP3A4SLC6A4SLC6A2HTR2A
Water SCHEMBL4426451 0.98 GRK2 (0.55) GRK2CYP3A4SLC6A4SLC6A2HTR2A
Water SCHEMBL7100681 0.98 GRK2 (0.55) GRK2CYP3A4SLC6A4SLC6A2HTR2A
Water SCHEMBL7100677 0.98 GRK2 (0.55) GRK2CYP3A4SLC6A4SLC6A2HTR2A
Cadaverine Tartrate SCHEMBL8195310 0.88 GRK2 (0.47) GRK2CYP3A4SLC6A4SLC6A2HTR2A
SCHEMBL27611853 0.87 GRK2 (0.47) GRK2CYP3A4SLC6A4SLC6A2HTR2A
Tert-Butyl Formate SCHEMBL27970139 0.85 GRK2 (0.47) GRK2CYP3A4SLC6A4SLC6A2HTR2A

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
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 claimed
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 claimed
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-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
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 (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 GRK2 336/4885CYP3A4 115/4885SLC6A4 418/4885

“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.