SCHEMBL3544058

SCHEMBL3544058

Fc1cc(Cl)ccc1Sc1cccc(F)c1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
SLC6A3 Q01959 8/20 0.45
HTR1A P08908 7/20 0.45
CHRM1 P11229 3/20 0.43
CHRM3 P20309 2/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR3A P46098 1/20 0.38
MAPK14 Q16539 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3547746 0.91 HTR1A (0.48) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL3544966 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMAPK14
SCHEMBL3546339 0.85 HTR1A (0.56) SLC6A2SLC6A4SLC6A3HTR1AKCNH2
SCHEMBL3540759 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL3543078 0.85 HTR1A (0.45) SLC6A2SLC6A4SLC6A3HTR1ACYP1A2
SCHEMBL3549860 0.84 HTR1A (0.47) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL3538723 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1ACYP1A2
SCHEMBL3540835 0.82 HTR1A (0.47) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL3542830 0.81 HTR1A (0.49) SLC6A2SLC6A4SLC6A3HTR1AHTR3A
SCHEMBL3537519 0.81 HTR1A (0.50) SLC6A2SLC6A4SLC6A3HTR1ACHRM1

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-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 claimed
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-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 SLC6A2 84/4885SLC6A4 14/4885SLC6A3 61/4885

“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.