SCHEMBL4698796

SCHEMBL4698796

COc1cccc(Sc2ccc(C)cc2C2=CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.47
HTR3A P46098 5/20 0.47
HTR6 P50406 8/20 0.46
HTR2C P28335 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HTR1D P28221 1/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 2/20 0.42
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
PTGIR P43119 1/20 0.38
IDO1 P14902 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
SCHEMBL4698755 0.88 HTR1A (0.46) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4698875 0.88 HTR1A (0.46) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4699923 0.87 HTR1A (0.55) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4698264 0.87 HTR1A (0.55) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4701205 0.84 HTR2C (0.42) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4700434 0.84 HTR2C (0.52) HTR1AHTR3AHTR6HTR2CMAPT
SCHEMBL4699352 0.84 DRD2 (0.44) HTR1AHTR3AHTR6HTR2CHTR7
SCHEMBL4698711 0.84 HTR6 (0.50) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4702374 0.82 HTR6 (0.48) HTR1AHTR3AHTR6HTR2CKDM4E
SCHEMBL4701804 0.82 HTR6 (0.48) HTR1AHTR3AHTR6HTR2CKDM4E

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 6 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 claimed
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 claimed
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 11/4885HTR6 14/4885

“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.