SCHEMBL4698654

SCHEMBL4698654

COc1cccc(Sc2ccccc2C2(O)CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.56
HTR3A P46098 6/20 0.56
SIGMAR1 Q99720 1/20 0.52
HTR2C P28335 3/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.40
DHFR P00374 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
PTGIR P43119 1/20 0.38
ADRB1 P08588 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL4699736 0.81 HTR1A (0.57) HTR1AHTR3ASIGMAR1HTR2CMEN1
SCHEMBL4699622 0.74 SIGMAR1 (0.46) HTR1AHTR3ASIGMAR1DHFR
SCHEMBL4702082 0.74 HTR1A (0.50) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4702827 0.74 DRD2 (0.51) HTR1AHTR3ASIGMAR1MEN1KMT2A
SCHEMBL4702868 0.73 SIGMAR1 (0.51) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4703103 0.73 HTR1A (0.57) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL737743 0.73 OPRM1 (0.57) SIGMAR1HTR2CMEN1KMT2AOPRM1
SCHEMBL4702507 0.72 SIGMAR1 (0.45) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4702717 0.72 SIGMAR1 (0.45) HTR1AHTR3ASIGMAR1HTR2CHTR6
Hydrochloric Acid SCHEMBL30206700 0.72 OPRM1 (0.56) SIGMAR1HTR2CMEN1KMT2AOPRM1

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 11/4885SIGMAR1 265/4885

“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.