SCHEMBL3540583

SCHEMBL3540583

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2Sc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 3/20 0.40
PTPN11 Q06124 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 2/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PAK1 Q13153 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3545421 0.95 HDAC2 (0.40) MEN1KMT2AMDM4MDM2PSEN1
SCHEMBL3549049 0.92 CYP3A4 (0.44) MEN1KMT2ADRD2CYP3A4CYP3A5
SCHEMBL3546336 0.91 HDAC2 (0.38) MEN1KMT2ADRD2CYP3A4MDM4
SCHEMBL3543561 0.90 PDK2 (0.40) MEN1KMT2ADRD2PTPN11MDM4
SCHEMBL3539669 0.90 HTR1A (0.39) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3548088 0.89 MEN1 (0.43) MEN1KMT2ADRD2CYP3A4CYP3A5
SCHEMBL3544412 0.88 MEN1 (0.42) MEN1KMT2APTPN11CYP3A4ALDH1A1
SCHEMBL3538854 0.87 HDAC2 (0.41) MEN1KMT2ASMN1; SMN2HDAC1HDAC2
SCHEMBL3545788 0.87 STS (0.41) MEN1KMT2APTPN11CYP3A4CYP3A5
SCHEMBL3546005 0.85 HDAC2 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 MEN1 4709/4885KMT2A 2289/4885DRD2 7/4885

“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.