SCHEMBL3547746

SCHEMBL3547746

Fc1cccc(Sc2ccc(Cl)cc2Cl)c1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HTR3A P46098 2/20 0.48
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 6/20 0.44
RHEB Q15382 2/20 0.43
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
MEN1 O00255 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
SCHEMBL3544058 0.91 SLC6A2 (0.45) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3537519 0.88 HTR1A (0.50) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3541973 0.85 HTR1A (0.53) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3540759 0.84 SLC6A2 (0.45) HTR1ACHRM1CHRM3SLC6A2SLC6A4
SCHEMBL3540835 0.83 HTR1A (0.47) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3549860 0.83 HTR1A (0.47) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3546339 0.81 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3544966 0.81 SLC6A2 (0.54) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3546875 0.79 HTR1A (0.55) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3543078 0.79 HTR1A (0.45) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US claimed
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 HTR1A 11/4885CYP1A2 833/4885CYP3A4 1381/4885

“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.