SCHEMBL3544109

SCHEMBL3544109

COc1ccc(Sc2ccccc2C2CCN(OC(=O)C(F)(F)F)CC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45
RBP4 P02753 5/20 0.41
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
MAPK7 Q13164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL5742412 0.90 HTR1A (0.38) HTR1AHTR3ARBP4MEN1KMT2A
SCHEMBL3544759 0.88 RBP4 (0.41) HTR1AHTR3ARBP4ITGB2ICAM1
SCHEMBL3546222 0.82 RBP4 (0.40) RBP4ITGB2ICAM1ITGALMEN1
Trifluoroacetic Acid SCHEMBL3544105 0.82 HTR1A (0.50) HTR1AHTR3ARBP4LDHALDHB
SCHEMBL3540773 0.81 RBP4 (0.40) RBP4MEN1KMT2AMAPT
SCHEMBL5744793 0.78 SLC6A9 (0.42) HTR1AHTR3ARBP4MEN1KMT2A
SCHEMBL5742058 0.78 HSD11B1 (0.41) RBP4MAPK7ALDH1A1MMP2SLC9A1
SCHEMBL5743114 0.76 ENPP2 (0.34) HTR1AHTR3ARBP4ITGB2ICAM1
SCHEMBL3543538 0.76 HTR1A (0.60) HTR1AHTR3A
SCHEMBL5742641 0.76 RBP4 (0.36) RBP4ITGB2ICAM1ITGALALDH1A1

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-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
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 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 11/4885HTR3A 22/4885RBP4 2710/4885

“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.