SCHEMBL3546700

SCHEMBL3546700

Clc1ccc(Sc2ccccc2Br)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.60
PDE7B Q9NP56 2/20 0.60
ITGB2 P05107 11/20 0.53
ICAM1 P05362 11/20 0.53
ITGAL P20701 11/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
RHEB Q15382 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR3A P46098 1/20 0.49
LMNA P02545 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL29829144 0.85 PDE7A (0.53) PDE7APDE7BITGB2ICAM1ITGAL
SCHEMBL3542423 0.82 PDE7A (0.57) PDE7APDE7BITGB2ICAM1ITGAL
SCHEMBL3545049 0.82 PDE7A (0.57) PDE7APDE7BITGB2ICAM1ITGAL
SCHEMBL11824181 0.82 PDE7A (0.56) PDE7APDE7BRHEBLMNA
SCHEMBL3165346 0.82 ITGB2 (0.72) PDE7AITGB2ICAM1ITGALMEN1
SCHEMBL3550135 0.79 ATM (0.54) PDE7APDE7BITGB2ICAM1ITGAL
SCHEMBL3541611 0.78 HTR1A (0.54) PDE7APDE7BMEN1ALDH1A1MAPT
SCHEMBL1341957 0.78 ITGB2 (0.62) PDE7AITGB2ICAM1ITGALMEN1
Hydrochloric Acid SCHEMBL7604738 0.77 ITGB2 (0.77) PDE7APDE7BITGB2ICAM1ITGAL
SCHEMBL29543575 0.77 LMNA (0.57) PDE7APDE7BMEN1ALDH1A1MAPT

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 PDE7A 711/4885PDE7B 500/4885ITGB2 3288/4885

“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.