SCHEMBL3544134

SCHEMBL3544134

COc1ccccc1Sc1cccc(F)c1C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.58
SLC6A2 P23975 10/20 0.58
SLC6A4 P31645 10/20 0.58
SLC6A3 Q01959 8/20 0.58
HTR2C P28335 2/20 0.50
HTR3A P46098 2/20 0.48
IDO1 P14902 1/20 0.41
HTR6 P50406 1/20 0.41
MAP4K1 Q92918 1/20 0.41

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
SCHEMBL3546339 0.85 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5020016 0.83 HTR1A (0.70) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3540970 0.83 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3548370 0.83 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL4888805 0.82 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3542830 0.81 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3549096 0.81 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3552365 0.81 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3548242 0.80 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3544797 0.79 HTR1A (0.52) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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 11/4885SLC6A2 84/4885SLC6A4 14/4885

“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.