SCHEMBL4698230

SCHEMBL4698230

Fc1ccc(Sc2cccc(Cl)c2)c(C2=CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.52
HTR6 P50406 9/20 0.42
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.38
MAOB P27338 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) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL4699949 0.87 HTR2C (0.51) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL4697873 0.87 HTR2C (0.49) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL4700434 0.86 HTR2C (0.52) HTR2CHTR6SIGMAR1HTR2AHTR7
SCHEMBL4699881 0.86 DRD2 (0.47) HTR2CHTR6CCNT1CDK9HTR2A
SCHEMBL4700640 0.85 HTR2C (0.57) HTR2CHTR6SIGMAR1HTR2AHTR7
SCHEMBL4697813 0.84 HTR6 (0.46) HTR2CHTR6CCNT1CDK9HTR2A
SCHEMBL4698834 0.83 HTR2C (0.47) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL4698722 0.83 HTR2C (0.47) HTR2CHTR6CCNT1CDK9SIGMAR1
SCHEMBL4698875 0.83 HTR1A (0.46) HTR2CHTR6CCNT1CDK9HTR2A

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 9 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
JP-2006522029-A 2006-09-28 JP claimed
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 claimed
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 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 14/4885CCNT1 3007/4885

“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.