SCHEMBL3540979

SCHEMBL3540979

O=C(ON1CCC(c2cc(F)ccc2Sc2ccc(Br)cc2F)CC1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.35
RBP4 P02753 6/20 0.35
GPR6 P46095 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 1/20 0.32
AKR1B1 P15121 1/20 0.31

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
SCHEMBL5742628 0.87 MAPK14 (0.37) MAPK14RBP4SMN1; SMN2
SCHEMBL3547829 0.85 MAPK14 (0.35) MAPK14RBP4SMN1; SMN2
SCHEMBL3543443 0.83 SMN1; SMN2 (0.47) POLBKMT2ASMN1; SMN2USP30
SCHEMBL3544303 0.82 RBP4 (0.41) MAPK14RBP4SMN1; SMN2
SCHEMBL5742641 0.80 RBP4 (0.36) MAPK14RBP4
Trifluoroacetic Acid SCHEMBL3540978 0.79 MAPK14 (0.39) MAPK14GPR6AKR1B1
SCHEMBL13317008 0.79 DRD2 (0.39) MAPK14
SCHEMBL3540773 0.78 RBP4 (0.40) RBP4KMT2AUSP30
SCHEMBL3542802 0.74 MAPK14 (0.45) MAPK14
SCHEMBL3548496 0.74 GRM5 (0.39) 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 MAPK14 3486/4885RBP4 2710/4885GPR6 634/4885

“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.