SCHEMBL4700490

SCHEMBL4700490

Clc1ccc(Sc2ccccc2C2=CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
HTR1A P08908 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTR2C P28335 6/20 0.50
SIGMAR1 Q99720 2/20 0.47
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
RHEB Q15382 1/20 0.41
HTR6 P50406 4/20 0.41
MAPT P10636 3/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 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
SCHEMBL4699241 0.90 HTR2C (0.50) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4699360 0.88 HTR2C (0.50) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4700976 0.88 HTR2C (0.48) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4700935 0.88 HTR2C (0.48) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4698320 0.88 HTR3A (0.54) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4700190 0.88 HTR6 (0.46) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4698722 0.85 HTR2C (0.47) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4698880 0.85 HTR2C (0.47) HTR3ACYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL4699261 0.84 CCNT1 (0.47) HTR3ACYP1A2CYP3A4HTR1AHTR2C
SCHEMBL4698298 0.84 HTR1A (0.56) HTR3ACYP1A2CYP3A4HTR1ACYP2D6

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 HTR3A 11/4885CYP1A2 200/4885CYP3A4 416/4885

“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.