SCHEMBL6693166

SCHEMBL6693166

O=C(OCc1ccccc1)N1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTR1A P08908 5/20 0.53
CYP3A4 P08684 4/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
GRK2 P25098 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.53
CACNA1F O60840 1/20 0.53
MPO P05164 1/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
ABCB1 P08183 1/20 0.53
CHRM5 P08912 1/20 0.53

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
SCHEMBL4426374 1.00 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL14608906 0.89 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL5323659 0.89 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL7466131 0.89 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL5329429 0.87 L3MBTL1 (0.66) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL14609009 0.87 L3MBTL1 (0.66) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL5327843 0.86 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL4424027 0.84 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL4426369 0.84 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AHTR1ACYP3A4
SCHEMBL6848654 0.84 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AHTR1ACYP3A4

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 10 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
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 L3MBTL1 2564/4885MEN1 4248/4885KMT2A 442/4885

“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.