SCHEMBL4699155

SCHEMBL4699155

Cc1ccc(Sc2ccc(Cl)cc2)c(C2(O)CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.54
HTR3A P46098 12/20 0.54
DRD2 P14416 1/20 0.47
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C9 P11712 5/20 0.39
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4702540 0.92 HTR1A (0.50) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4700194 0.87 HTR1A (0.55) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4703103 0.85 HTR1A (0.57) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4702499 0.85 DRD2 (0.47) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4698313 0.81 DRD2 (0.43) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4702827 0.81 DRD2 (0.51) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4701018 0.81 HTR1A (0.50) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4701297 0.79 HTR1A (0.41) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4701338 0.77 DRD2 (0.47) HTR1AHTR3ADRD2CYP1A2CYP3A4
SCHEMBL4704131 0.76 HTR1A (0.42) HTR1AHTR3ADRD2CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384822-C 4-(2-phenylsulfanyl-phenyl)-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2008-04-30 CN disclosed
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 11/4885DRD2 19/4885

“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.