SCHEMBL4703115

SCHEMBL4703115

OC1(c2ccccc2Sc2ccccc2F)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
OPRM1 P35372 4/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
HTR2C P28335 2/20 0.38
HTR6 P50406 1/20 0.38
DRD2 P14416 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTPN11 Q06124 2/20 0.32
LDHA P00338 1/20 0.32
HDAC4 P56524 1/20 0.32
HTR1A P08908 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL4704836 0.85 DRD2 (0.42) SIGMAR1HTR2CHTR6DRD2HTR1A
SCHEMBL4702082 0.82 HTR1A (0.50) SIGMAR1HTR2CHTR6DRD2LMNA
SCHEMBL615903 0.82 SIGMAR1 (0.57) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4704045 0.82 SIGMAR1 (0.48) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4702868 0.82 SIGMAR1 (0.51) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4703446 0.82 SIGMAR1 (0.48) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4698879 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1HTR2CHTR6HDAC4
Ethyne SCHEMBL27599449 0.79 SIGMAR1 (0.54) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4702827 0.77 DRD2 (0.51) SIGMAR1DRD2LMNAHTR1AHTR3A
SCHEMBL4699622 0.77 SIGMAR1 (0.46) SIGMAR1DRD2HTR1AHTR3A

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 SIGMAR1 265/4885OPRM1 59/4885OPRD1 24/4885

“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.