SCHEMBL3544797

SCHEMBL3544797

COc1cccc(Sc2cccc(F)c2C2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
HTR3A P46098 1/20 0.52
HTR2C P28335 4/20 0.51
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 7/20 0.49
SLC6A3 Q01959 7/20 0.49
HTR6 P50406 2/20 0.40
IDO1 P14902 1/20 0.40
DHFR P00374 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PTGIR P43119 1/20 0.38
FYN P06241 1/20 0.38
PLAT P00750 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
Trifluoroacetic Acid SCHEMBL5742976 0.91 HTR1A (0.44) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3552365 0.88 HTR1A (0.51) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3542830 0.86 HTR1A (0.49) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3540970 0.85 HTR1A (0.50) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3549782 0.84 HTR1A (0.50) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3548242 0.84 HTR1A (0.47) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3543831 0.84 SLC6A2 (0.54) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL3541973 0.83 HTR1A (0.53) HTR1AHTR3AHTR2CSLC6A2SLC6A4
SCHEMBL3540759 0.81 SLC6A2 (0.45) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL3543364 0.81 HTR1A (0.49) HTR1AHTR3AHTR2CSLC6A2SLC6A4

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 11/4885HTR3A 22/4885HTR2C 4/4885

“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.