SCHEMBL3546222

SCHEMBL3546222

Cc1cc(Cl)ccc1Sc1ccccc1C1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.40
AVPR1A P37288 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD11B1 P28845 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PGR P06401 3/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL3544759 0.90 RBP4 (0.41) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL3540773 0.89 RBP4 (0.40) RBP4MEN1KMT2APGRMAPT
SCHEMBL3544109 0.82 HTR1A (0.45) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL5742981 0.81 RBP4 (0.37) RBP4HSD11B1TRPV1MAPTTP53
Trifluoroacetic Acid SCHEMBL3546218 0.80 HTR2C (0.41) AVPR1A
SCHEMBL3544775 0.79 HTR1A (0.40) RBP4MAPTALDH1A1
SCHEMBL5743114 0.78 ENPP2 (0.34) RBP4POLBITGB2ICAM1ITGAL
SCHEMBL3540439 0.77 DRD4 (0.38) RBP4TRPV1MAPTTP53
SCHEMBL5742408 0.76 KDM4E (0.48) RBP4MEN1KMT2ATRPV1MAPT
SCHEMBL5742058 0.76 HSD11B1 (0.41) RBP4HSD11B1ALDH1A1

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 RBP4 2710/4885AVPR1A 879/4885MEN1 4709/4885

“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.