SCHEMBL4698313

SCHEMBL4698313

OC1(c2cc(C(F)(F)F)ccc2Sc2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
HTR1A P08908 4/20 0.39
HTR3A P46098 4/20 0.39
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
OPRL1 P41146 1/20 0.36
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.35
DDR1 Q08345 2/20 0.34
TACR1 P25103 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
RHEB Q15382 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL4701297 0.88 HTR1A (0.41) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4702499 0.84 DRD2 (0.47) DRD2HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL4699155 0.81 HTR1A (0.54) DRD2HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL4702827 0.78 DRD2 (0.51) DRD2HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL2274921 0.78 DRD2 (0.42) DRD2OPRL1HTR2CTACR1SLC6A4
SCHEMBL4702876 0.78 HTR1A (0.43) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL3546028 0.77 GPR119 (0.42) DRD2OPRL1TACR1MEN1KMT2A
SCHEMBL4701338 0.77 DRD2 (0.47) DRD2HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL2271110 0.76 HDAC3 (0.40) DRD2HTR3AHTR2CTACR1SLC6A4
SCHEMBL3542542 0.73 HTR2C (0.44) 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 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 DRD2 19/4885HTR1A 4/4885HTR3A 11/4885

“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.