SCHEMBL4698498

SCHEMBL4698498

Clc1ccc(Sc2ccccc2C2=CCNCC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR3A P46098 1/20 0.52
HTR2C P28335 8/20 0.44
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR6 P50406 2/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
KHK P50053 1/20 0.36
FTO Q9C0B1 1/20 0.36

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
SCHEMBL4699123 0.89 HTR2C (0.44) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4698232 0.85 HTR2C (0.56) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4700640 0.85 HTR2C (0.57) HTR3AHTR2CSIGMAR1KDM4EALDH1A1
SCHEMBL4702797 0.84 HTR2C (0.49) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4697837 0.84 HTR3A (0.41) HTR1AHTR3AHTR2CSIGMAR1MAPT
SCHEMBL4699360 0.82 HTR2C (0.50) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4703073 0.82 HTR2C (0.57) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4698584 0.82 HTR1A (0.52) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4699241 0.82 HTR2C (0.50) HTR1AHTR3AHTR2CSIGMAR1KDM4E
SCHEMBL4698974 0.80 HTR2C (0.56) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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.