SCHEMBL3545931

SCHEMBL3545931

Cc1ccc(Sc2ccc(F)cc2C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.51
HTR3A P46098 6/20 0.51
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 7/20 0.48
MAPK14 Q16539 2/20 0.46
HTR6 P50406 5/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL3548168 0.92 SLC6A2 (0.50) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3542568 0.89 SLC6A2 (0.51) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3544140 0.89 HTR1A (0.52) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3546050 0.86 MAPK14 (0.46) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3544128 0.86 SLC6A2 (0.48) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3542315 0.86 SLC6A2 (0.49) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3542162 0.86 MAPK14 (0.43) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3551251 0.86 HTR1A (0.46) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3547561 0.85 SLC6A2 (0.50) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL3538118 0.85 SLC6A4 (0.50) HTR1AHTR3ASLC6A2SLC6A4SLC6A3

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-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
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 22/4885SLC6A2 84/4885

“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.