SCHEMBL4698675

SCHEMBL4698675

Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(C2=CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.55
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
SOS1 Q07889 2/20 0.39
HTR6 P50406 2/20 0.37
HTR1A P08908 3/20 0.37
HTR3A P46098 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
DRD2 P14416 1/20 0.36
ELANE P08246 1/20 0.36
KHK P50053 2/20 0.35
XDH P47989 1/20 0.35
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL4698755 0.87 HTR1A (0.46) HTR2CHTR6HTR1AHTR3ADRD2
SCHEMBL4698293 0.86 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3SOS1
SCHEMBL4699352 0.85 DRD2 (0.44) HTR2CHTR6HTR1AHTR3ADRD2
SCHEMBL4698299 0.85 HTR2C (0.49) HTR2CHTR6HTR1AHTR3AALOX5AP
SCHEMBL4701205 0.83 HTR2C (0.42) HTR2CHTR6HTR1AHTR3ADRD2
SCHEMBL4700434 0.83 HTR2C (0.52) HTR2CSOS1HTR6HTR1AHTR3A
SCHEMBL4701397 0.82 HTR2C (0.48) HTR2CSLC6A4HTR6HTR1AHTR3A
SCHEMBL4698796 0.81 HTR1A (0.47) HTR2CHTR6HTR1AHTR3ADRD2
SCHEMBL4698848 0.81 HTR1A (0.49) HTR2CHTR6HTR1AHTR3ADRD2
SCHEMBL4699881 0.81 DRD2 (0.47) HTR2CHTR6HTR1AHTR3ADRD2

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 6 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
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 2/4885SLC6A2 23/4885SLC6A4 9/4885

“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.