SCHEMBL6693784

SCHEMBL6693784

O=C(OCc1ccccc1)N1CC[C@@H](c2ccc(F)cc2)[C@H](COS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
GRIN2B Q13224 2/20 0.43
RORC P51449 2/20 0.43
F13A1 P00488 2/20 0.42
TGM2 P21980 2/20 0.42
TGM1 P22735 2/20 0.42
PDE4B Q07343 2/20 0.42
KDM1A O60341 1/20 0.40
JAK1 P23458 4/20 0.40
JAK2 O60674 3/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL6694472 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6694471 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6690463 0.94 P2RX7 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6689652 0.94 P2RX7 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6690460 0.94 P2RX7 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6690206 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6690204 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6851928 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7212149 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL6690207 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 SMN1; SMN2 2012/4885NPC1 2122/4885RAB9A 701/4885

“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.