SCHEMBL4698501

SCHEMBL4698501

Fc1cccc(Sc2ccccc2C2=CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
HTR6 P50406 8/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KHK P50053 2/20 0.39
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4701351 0.90 HTR6 (0.42) HTR2CHTR6SIGMAR1DRD2KHK
SCHEMBL4699352 0.85 DRD2 (0.44) HTR2CHTR6DRD2KHKHTR2A
SCHEMBL4702831 0.85 HTR1A (0.49) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4703073 0.85 HTR2C (0.57) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4700640 0.85 HTR2C (0.57) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4702858 0.85 HTR1A (0.52) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4698293 0.84 HTR2C (0.60) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4697873 0.83 HTR2C (0.49) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4698104 0.82 HTR6 (0.45) HTR2CHTR6SIGMAR1KDM4EALDH1A1
SCHEMBL4757792 0.82 HTR6 (0.45) HTR2CHTR6SIGMAR1KDM4EALDH1A1

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 HTR2C 2/4885HTR6 14/4885SIGMAR1 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.