SCHEMBL4703103

SCHEMBL4703103

COc1ccc(Sc2ccc(C)cc2C2(O)CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.57
HTR3A P46098 11/20 0.57
SIGMAR1 Q99720 1/20 0.43
HTR2C P28335 2/20 0.39
SLC6A9 P48067 1/20 0.39
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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 0.90 HTR1A (0.50) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4702507 0.87 SIGMAR1 (0.45) HTR1AHTR3ASIGMAR1HTR2CSLC6A9
SCHEMBL4699155 0.85 HTR1A (0.54) HTR1AHTR3ASIGMAR1MEN1KMT2A
SCHEMBL4700194 0.85 HTR1A (0.55) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4702717 0.80 SIGMAR1 (0.45) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4701018 0.79 HTR1A (0.50) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL3547010 0.77 HTR1A (0.46) HTR1AHTR3ASLC6A9ALDH1A1MEN1
SCHEMBL4701297 0.77 HTR1A (0.41) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4704131 0.74 HTR1A (0.42) HTR1AHTR3ASIGMAR1HTR2CHTR6
SCHEMBL4698654 0.73 HTR1A (0.56) HTR1AHTR3ASIGMAR1HTR2CHTR6

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.