SCHEMBL3548204

SCHEMBL3548204

Fc1ccc(Sc2ccccc2C2CCNCC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.48
SLC6A4 P31645 11/20 0.48
HTR1A P08908 10/20 0.48
SLC6A3 Q01959 10/20 0.48
LDHA P00338 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR3A P46098 1/20 0.41
HTR2C P28335 6/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL3543924 0.91 SLC6A2 (0.48) SLC6A2SLC6A4HTR1ASLC6A3LDHA
SCHEMBL3548607 0.90 SLC6A2 (0.46) SLC6A2SLC6A4HTR1ASLC6A3CYP1A2
SCHEMBL3544503 0.89 SLC6A2 (0.44) SLC6A2SLC6A4HTR1ASLC6A3LDHA
Bromide SCHEMBL3540320 0.88 SLC6A2 (0.45) SLC6A2SLC6A4HTR1ASLC6A3CYP1A2
SCHEMBL3546054 0.87 SLC6A2 (0.48) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL3538396 0.86 SLC6A2 (0.50) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL3546875 0.86 HTR1A (0.55) SLC6A2SLC6A4HTR1ASLC6A3CYP1A2
SCHEMBL3552153 0.85 SLC6A2 (0.48) SLC6A2SLC6A4HTR1ASLC6A3CYP1A2
SCHEMBL3541861 0.84 SLC6A2 (0.47) SLC6A2SLC6A4HTR1ASLC6A3CYP1A2
Oxalic Acid SCHEMBL3548493 0.84 SLC6A2 (0.43) SLC6A2SLC6A4HTR1ASLC6A3LDHA

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 14/4885HTR1A 11/4885

“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.