SCHEMBL3547431

SCHEMBL3547431

Cc1ccc(Sc2ccc(C)cc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.45
HTR3A P46098 7/20 0.45
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 5/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX12 P18054 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL3537628 0.89 HTR1A (0.50) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL3547996 0.86 HTR1A (0.53) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL3544118 0.85 HTR1A (0.44) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL6928587 0.81 CYP2A6 (0.47) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL3544287 0.81 MLYCD (0.46) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL6923870 0.79 KDM4E (0.55) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL20383970 0.79 LMNA (0.50) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL3538549 0.79 HAO1 (0.46) HTR1AHTR3AMAPTHPGDALOX15
SCHEMBL546680 0.79 CYP1A2 (0.46) HTR1AHTR3AMAPTALDH1A1HPGD
SCHEMBL30968879 0.79 CYP1A2 (0.46) HTR1AHTR3AMAPTALDH1A1HPGD

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 HTR1A 11/4885HTR3A 22/4885MAPT 2875/4885

“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.