SCHEMBL4698299

SCHEMBL4698299

Cc1ccc(Sc2ccc(C(F)(F)F)cc2C2=CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
HTR1A P08908 5/20 0.40
HTR3A P46098 5/20 0.40
HTR6 P50406 2/20 0.39
P2RY14 Q15391 1/20 0.38
SCN9A Q15858 7/20 0.37
DRD2 P14416 1/20 0.35
MLYCD O95822 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4699297 0.88 HTR2C (0.49) HTR2CALOX5APFEN1HTR1AHTR3A
SCHEMBL4701397 0.87 HTR2C (0.48) HTR2CALOX5APFEN1HTR1AHTR3A
SCHEMBL4698848 0.86 HTR1A (0.49) HTR2CHTR1AHTR3AHTR6DRD2
SCHEMBL4698675 0.85 HTR2C (0.55) HTR2CALOX5APFEN1HTR1AHTR3A
SCHEMBL4698914 0.84 DRD2 (0.49) HTR2CHTR1AHTR3AHTR6DRD2
SCHEMBL4703667 0.82 HTR1A (0.53) HTR2CHTR1AHTR3AHTR6DRD2
SCHEMBL4698491 0.81 HTR1A (0.52) HTR2CALOX5APFEN1HTR1AHTR3A
SCHEMBL4703071 0.80 EHMT2 (0.41) HTR2CHTR1AHTR3AHTR6CYP1A2
SCHEMBL4701235 0.80 HTR2C (0.51) HTR2CHTR1AHTR3AHTR6DRD2
SCHEMBL4699011 0.80 HTR3A (0.53) HTR2CHTR1AHTR3AHTR6DRD2

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 2/4885ALOX5AP 1646/4885FEN1 3151/4885

“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.