SCHEMBL6691503

SCHEMBL6691503

O=C1C[C@H](c2ccc(F)cc2)[C@H](C(=O)O)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.40
FPR2 P25090 5/20 0.40
SLC9A1 P19634 1/20 0.39
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM1A O60341 2/20 0.36
LMNA P02545 1/20 0.36
GRIK2 Q13002 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4428167 1.00 FPR1 (0.40) FPR1FPR2SLC9A1TACR1ALDH1A1
SCHEMBL4428159 1.00 FPR1 (0.40) FPR1FPR2SLC9A1TACR1ALDH1A1
SCHEMBL4428165 1.00 FPR1 (0.40) FPR1FPR2SLC9A1TACR1ALDH1A1
SCHEMBL19985883 0.86 MCL1 (0.43) FPR1FPR2ALDH1A1LMNA
SCHEMBL19972233 0.86 MCL1 (0.43) FPR1FPR2ALDH1A1LMNA
SCHEMBL4427381 0.83 SLC6A3 (0.46) FPR1FPR2ALDH1A1
SCHEMBL4425103 0.83 SLC6A3 (0.46) FPR1FPR2ALDH1A1
SCHEMBL4425092 0.83 SLC6A3 (0.46) FPR1FPR2ALDH1A1
SCHEMBL4425098 0.83 SLC6A3 (0.46) FPR1FPR2ALDH1A1
SCHEMBL19985882 0.81 FPR1 (0.53) FPR1FPR2ALDH1A1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 FPR1 1618/4885FPR2 2056/4885SLC9A1 2781/4885

“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.