SCHEMBL4701427

SCHEMBL4701427

Cc1ccc(Sc2cccc(F)c2F)c(C2=CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
DRD2 P14416 2/20 0.40
HTR2C P28335 7/20 0.38
HTR1A P08908 4/20 0.37
HTR3A P46098 3/20 0.37
KHK P50053 2/20 0.37
HTR6 P50406 3/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4702343 0.91 DRD2 (0.40) CCNT1CDK9DRD2HTR2CHTR1A
SCHEMBL4702136 0.91 HTR2C (0.42) DRD2HTR2CHTR1AHTR3AKHK
SCHEMBL4698896 0.89 HTR2C (0.41) DRD2HTR2CHTR1AHTR3AKHK
SCHEMBL4698324 0.87 DRD2 (0.43) CCNT1CDK9DRD2HTR2CHTR1A
SCHEMBL4698458 0.85 HTR2C (0.46) CCNT1CDK9DRD2HTR2CHTR1A
SCHEMBL4702558 0.83 HTR2C (0.42) DRD2HTR2CHTR1AHTR3AKHK
SCHEMBL4700514 0.83 HTR1A (0.44) DRD2HTR2CHTR1AHTR3AKHK
SCHEMBL4701264 0.83 DRD2 (0.48) CCNT1CDK9DRD2HTR2CHTR1A
SCHEMBL4701044 0.83 HTR1A (0.46) DRD2HTR2CHTR1AHTR3AKHK
SCHEMBL4698255 0.81 HTR1A (0.40) CCNT1CDK9DRD2HTR2CHTR1A

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 CCNT1 3007/4885CDK9 3696/4885DRD2 19/4885

“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.