SCHEMBL4699282

SCHEMBL4699282

Cc1ccc(Sc2ccccc2C2=CCNCC2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.52
HTR3A P46098 12/20 0.52
HTR2C P28335 6/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C9 P11712 3/20 0.52
HTR2A P28223 3/20 0.52
HTR6 P50406 3/20 0.52
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
HRH2 P25021 2/20 0.52
HTR1B P28222 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR7 P34969 2/20 0.52
HRH1 P35367 2/20 0.52
HTR5A P47898 2/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SIGMAR1 Q99720 1/20 0.42

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 0.91 HTR1A (0.49) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4701044 0.90 HTR1A (0.46) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4699415 0.90 HTR2C (0.44) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4702520 0.88 HTR2C (0.50) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4702558 0.88 HTR2C (0.42) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4697830 0.88 HTR2C (0.42) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4698320 0.88 HTR3A (0.54) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4700976 0.88 HTR2C (0.48) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4701123 0.88 HTR2C (0.47) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4699429 0.88 HTR6 (0.44) HTR1AHTR3AHTR2CCYP1A2CYP3A4

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 HTR1A 4/4885HTR3A 11/4885HTR2C 2/4885

“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.