SCHEMBL3544111

SCHEMBL3544111

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2Sc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 1/20 0.42
PDK2 Q15119 1/20 0.42
TSHR P16473 2/20 0.40
HDAC2 Q92769 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
USP30 Q70CQ3 2/20 0.39
MC4R P32245 1/20 0.39
SCD5 Q86SK9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL3546005 0.94 HDAC2 (0.43) MEN1KMT2APDK2HDAC2HDAC1
SCHEMBL3553180 0.93 HDAC2 (0.40) MEN1KMT2ATACR1PDK2HDAC2
SCHEMBL3544034 0.91 GPR119 (0.41) KMT2APDK2HDAC2HDAC1GPR119
SCHEMBL3548088 0.90 MEN1 (0.43) MEN1KMT2AHDAC2HDAC1OPRK1
SCHEMBL3545788 0.89 STS (0.41) MEN1KMT2APDK2HDAC2HDAC1
SCHEMBL3538548 0.89 ALDH1A1 (0.43) HDAC2HDAC1GPR119SMN1; SMN2
SCHEMBL3539688 0.89 PDK2 (0.41) MEN1KMT2ATACR1PDK2TSHR
SCHEMBL3541593 0.88 PTPN11 (0.41) MEN1KMT2AHDAC2HDAC1
SCHEMBL13349785 0.88 GPR119 (0.44) TACR1PDK2TSHRALOX15ATM
SCHEMBL3545000 0.88 PDK2 (0.41) MEN1KMT2ATACR1PDK2TSHR

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 MEN1 4709/4885KMT2A 2289/4885TACR1 440/4885

“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.