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SCHEMBL3548158

SCHEMBL3548158

O=C(ON1CCC(c2ccccc2Sc2ccc(Cl)cc2)CC1)C(=O)ON1CCC(c2ccccc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ SLC6A9 P48067 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL3539027 0.86 MMP2 (0.50) MEN1KMT2AHTR1AHTR3ASLC6A9
SCHEMBL3547182 0.84 TBXA2R (0.40) MEN1KMT2AHTR1ACYP2C9SLC6A9
SCHEMBL3544187 0.84 PTGDR2 (0.42) MEN1KMT2AKDM4EHTR1ACYP2C9
SCHEMBL11484877 0.81 MEN1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL3540342 0.78 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL5742408 0.77 KDM4E (0.48) MEN1KMT2AKDM4EHTR1AHTR3A
SCHEMBL3547677 0.76 HTR1A (0.39) MEN1KMT2AKDM4EHTR1AHTR3A
Oxalic Acid SCHEMBL3548154 0.75 HTR1A (0.47) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL3544759 0.74 RBP4 (0.41) MEN1KMT2ACYP1A2CYP3A4HTR1A
SCHEMBL5743280 0.74 SLC6A9 (0.42) LMNASLC6A9HSD11B1MGLL

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 5 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
EP-1626720-B1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-09-03 — — EP 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 2289/4885KDM4E 1091/4885

“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.