SCHEMBL4699119

SCHEMBL4699119

OC1(c2ccccc2Sc2ccc(Cl)cc2Cl)CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
HTR3A P46098 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ITGB2 P05107 11/20 0.42
ICAM1 P05362 11/20 0.42
ITGAL P20701 11/20 0.42
RHEB Q15382 2/20 0.42
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL4703446 0.88 SIGMAR1 (0.48) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4704836 0.87 DRD2 (0.42) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4699736 0.84 HTR1A (0.57) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4702827 0.82 DRD2 (0.51) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL1513518 0.77 DRD2 (0.58) DRD2SIGMAR1
SCHEMBL4704154 0.76 HTR1A (0.54) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4702868 0.76 SIGMAR1 (0.51) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4703115 0.76 SIGMAR1 (0.48) HTR1AHTR3ADRD2SIGMAR1
SCHEMBL4704045 0.76 SIGMAR1 (0.48) HTR1AHTR3ADRD2SIGMAR1
SCHEMBL4698879 0.74 SIGMAR1 (0.47) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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 4 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 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 11/4885CYP1A2 200/4885

“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.