SCHEMBL3548037

SCHEMBL3548037

COc1cccc(F)c1C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
KDM1A O60341 1/20 0.44
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TGFBR1 P36897 1/20 0.39
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL13811506 0.87 HDAC2 (0.41) RORCKDM1AHDAC2HDAC1GPR119
SCHEMBL3466911 0.85 ROCK2 (0.44) RORCGPR119ALOX15TSHRATM
SCHEMBL6160222 0.81 OPRM1 (0.53) KDM1AHDAC1GPR119ALOX15TSHR
SCHEMBL23660730 0.81 GPR119 (0.45) RORCKDM1AHDAC2HDAC1GPR119
SCHEMBL3766313 0.81 GPR119 (0.48) RORCGPR119ALOX15TSHRATM
SCHEMBL1513306 0.80 PDK2 (0.49) RORCKDM1AHDAC1GPR119MEN1
SCHEMBL16874615 0.80 KDM4E (0.47) RORCGPR119MEN1KMT2AALDH1A1
SCHEMBL23660729 0.79 TSHR (0.47) RORCKDM1AHDAC2HDAC1GPR119
SCHEMBL31651847 0.78 ALDH1A1 (0.45) GPR119MEN1KMT2ATSHRALDH1A1
SCHEMBL3266179 0.77 RORC (0.51) RORCHDAC2HDAC1MEN1KMT2A

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 RORC 798/4885KDM1A 2684/4885HDAC2 113/4885

“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.