SCHEMBL3537628

SCHEMBL3537628

Cc1ccc(Sc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HTR3A P46098 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RHEB Q15382 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL3547431 0.89 HTR1A (0.45) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL30278573 0.85 MEN1 (0.53) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL24871310 0.85 MEN1 (0.53) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL3547996 0.79 HTR1A (0.53) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL3541411 0.79 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11761224 0.76 HTR1A (0.51) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL3544118 0.75 HTR1A (0.44) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL11759935 0.75 MEN1 (0.66) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL11760904 0.75 HTR1A (0.50) HTR1AHTR3AMEN1KMT2AMAPT
SCHEMBL3542952 0.75 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD

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 HTR1A 11/4885HTR3A 22/4885MEN1 4709/4885

“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.