SCHEMBL3540773

SCHEMBL3540773

O=C(ON1CCC(c2ccccc2Sc2ccc(Cl)cc2F)CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.40
DRD2 P14416 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXA2R P21731 1/20 0.35
OPRL1 P41146 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PGR P06401 4/20 0.33
CNR1 P21554 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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 0.91 RBP4 (0.41) RBP4MEN1KMT2ALMNAMAPT
SCHEMBL3546222 0.89 RBP4 (0.40) RBP4MEN1KMT2APGRMAPT
SCHEMBL3544109 0.81 HTR1A (0.45) RBP4MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL3540769 0.79 HTR2C (0.40) RBP4
SCHEMBL5742628 0.78 MAPK14 (0.37) RBP4DRD2LMNAMAPT
SCHEMBL5742641 0.78 RBP4 (0.36) RBP4OPRL1
SCHEMBL3540979 0.78 MAPK14 (0.35) RBP4KMT2AUSP30
SCHEMBL5742408 0.77 KDM4E (0.48) RBP4MEN1KMT2AMAPT
SCHEMBL5743114 0.77 ENPP2 (0.34) RBP4OPRL1
SCHEMBL6036253 0.77 GRM5 (0.47) RBP4

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 2710/4885DRD2 7/4885ADRA1D 83/4885

“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.