SCHEMBL1945968

SCHEMBL1945968

OCC1CNCCC1c1ccc(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
SCHEMBL4429628 1.00 GRK2 (0.56) GRK2CYP3A4SLC6A4SLC6A2HTR2A
SCHEMBL1096634 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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101974604-B Method for preparing paroxetine intermediate by enzyme resolution in ionic liquid NANJING UNIVERSITY OF TECHNOLOGY 2013-04-17 CN claimed
CN-101974604-A Method for preparing paroxetine intermediate by enzyme resolution in ionic liquid NANJING UNIVERSITY OF TECHNOLOGY 2011-02-16 CN claimed
EP-0969002-B1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS CO LTD (JP) 2003-08-27 EP claimed
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 claimed
US-20020028944-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine compound and process for preparing the same SUMIKA FINE CHEMICALS CO., LTD. 2002-03-07 US claimed
US-6316628-B1 REACTING A TRANS-(.+-.)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE COMPOUND WITH L-TARTARIC ACID IN METHANOL, OR A MIXED SOLVENT OF METHANOL AND ISOPROPYL ALCOHOL OR ACETONE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-11-13 US claimed
EP-0802185-B1 Process for producing piperidinecarbinols ASAHI GLASS CO LTD (JP) 2001-10-17 EP claimed
EP-0969002-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-01-05 EP claimed
EP-0802185-A1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 1997-10-22 EP claimed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
EP-3313396-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2018-05-02 EP disclosed
WO-2016210403-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-29 WO disclosed
EP-0969002-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-01-05 EP disclosed
EP-0969002-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethyl-piperidine compound and process for preparing the same SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-01-05 EP disclosed
WO-1998053824-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-03 WO disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
EP-0802185-A1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 1997-10-22 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO 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 (3 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-20020028944-A1 L-tartrate of trans-(-)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine compound and process for preparing the same TPH1, TPH2, TKT GRK2 751/4885CYP3A4 140/4885SLC6A4 17/4885
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 GRK2 1/4885CYP3A4 4742/4885SLC6A4 1682/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 GRK2 1/4885CYP3A4 4742/4885SLC6A4 1682/4885

“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.