SCHEMBL3546367

SCHEMBL3546367

CCOC(=O)N1CCC(O)(c2cc(F)ccc2OC)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
APP P05067 3/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12897006 0.88 CHRM4 (0.53) L3MBTL1APPALDH1A1POLBCYP2C19
SCHEMBL9528495 0.85 APP (0.66) L3MBTL1APPALDH1A1POLBCYP2C19
SCHEMBL4980764 0.81 L3MBTL1 (0.56) L3MBTL1APPALDH1A1POLBCYP2C19
SCHEMBL4983052 0.81 L3MBTL1 (0.56) L3MBTL1APPALDH1A1POLBCYP2C19
SCHEMBL4702045 0.81 L3MBTL1 (0.56) L3MBTL1APPALDH1A1POLBKDM4E
SCHEMBL12897279 0.79 ALDH1A1 (0.59) APPALDH1A1POLBCYP2C19MEN1
SCHEMBL12897246 0.77 CHRM4 (0.53) APPALDH1A1MEN1KMT2AKDM4E
SCHEMBL4700627 0.77 L3MBTL1 (0.53) L3MBTL1APPALDH1A1POLBMEN1
SCHEMBL12896489 0.76 ALDH1A1 (0.49) L3MBTL1APPALDH1A1POLBCYP2C19
SCHEMBL12897379 0.76 CHRM4 (0.52) APPALDH1A1POLBCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 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 (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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 L3MBTL1 4197/4885APP 2146/4885ALDH1A1 167/4885

“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.