SCHEMBL3540835

SCHEMBL3540835

Fc1cccc(Sc2cccc(Cl)c2F)c1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.47
SLC6A2 P23975 11/20 0.47
SLC6A4 P31645 8/20 0.47
SLC6A3 Q01959 7/20 0.47
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
OPRL1 P41146 3/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR3A P46098 1/20 0.36
MAPK14 Q16539 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
SCHEMBL3546339 0.84 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL3547746 0.83 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3LDHA
SCHEMBL3544058 0.82 SLC6A2 (0.45) HTR1ASLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL3537519 0.81 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3LDHA
SCHEMBL3549860 0.81 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL4706866 0.81 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL3549096 0.81 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL3548370 0.80 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL5425882 0.79 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL3540759 0.79 SLC6A2 (0.45) HTR1ASLC6A2SLC6A4SLC6A3CHRM1

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 4 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
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE 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-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.