SCHEMBL4701397

SCHEMBL4701397

Cc1ccc(Sc2ccc(C(F)(F)F)cc2C2=CCNCC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.48
HTR1A P08908 8/20 0.42
HTR3A P46098 8/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HTR6 P50406 3/20 0.40
CYP1A2 P05177 2/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
HRH2 P25021 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR7 P34969 2/20 0.40
HRH1 P35367 2/20 0.40
HTR5A P47898 2/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL4698024 0.88 HTR1A (0.49) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4698299 0.87 HTR2C (0.49) HTR2CHTR1AHTR3AALOX5APFEN1
SCHEMBL4700914 0.85 DRD2 (0.51) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4700748 0.82 DRD2 (0.48) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4698337 0.82 HTR2C (0.47) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4698675 0.82 HTR2C (0.55) HTR2CHTR1AHTR3AALOX5APFEN1
SCHEMBL4699282 0.82 HTR1A (0.52) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4699231 0.80 HTR2C (0.47) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4701044 0.80 HTR1A (0.46) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4698324 0.78 DRD2 (0.43) HTR2CHTR1AHTR3AHTR6CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613594-B1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-03-26 EP claimed
US-20070173522-A1 4-(2-Phenylsulfanyl-phenyl)-1,2,3,6- tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2007-07-26 US claimed
JP-2006522029-A 2006-09-28 JP claimed
EP-1613594-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2006-01-11 EP claimed
WO-2004087662-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO claimed
EP-1613594-B1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-03-26 EP disclosed
US-20070173522-A1 4-(2-Phenylsulfanyl-phenyl)-1,2,3,6- tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2007-07-26 US disclosed
EP-1613594-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2006-01-11 EP disclosed
WO-2004087662-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE 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-20070173522-A1 4-(2-Phenylsulfanyl-phenyl)-1,2,3,6- tetrahydropyridine derivatives as serotonin reuptake inhibitors TPH1, HTR2C, HTR1D HTR2C 2/4885HTR1A 4/4885HTR3A 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.