SCHEMBL3553180

SCHEMBL3553180

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)ccc2Sc2cccc(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
HDAC1 Q13547 1/20 0.40
PDK2 Q15119 1/20 0.39
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MC4R P32245 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL3544111 0.93 MEN1 (0.42) HDAC2GPR119HDAC1PDK2RORC
SCHEMBL3545788 0.92 STS (0.41) HDAC2HDAC1PDK2RORCGRM5
SCHEMBL3541593 0.91 PTPN11 (0.41) HDAC2HDAC1MEN1KMT2AALDH1A1
SCHEMBL3546005 0.91 HDAC2 (0.43) HDAC2GPR119HDAC1PDK2RORC
SCHEMBL3544034 0.88 GPR119 (0.41) HDAC2GPR119HDAC1PDK2RORC
SCHEMBL3548088 0.87 MEN1 (0.43) HDAC2HDAC1MEN1KMT2A
SCHEMBL3538854 0.86 HDAC2 (0.41) HDAC2GPR119HDAC1PDK2RORC
SCHEMBL3538548 0.86 ALDH1A1 (0.43) HDAC2GPR119HDAC1ALDH1A1
SCHEMBL3539688 0.86 PDK2 (0.41) HDAC2GPR119HDAC1PDK2RORC
SCHEMBL3545000 0.85 PDK2 (0.41) HDAC2GPR119HDAC1PDK2RORC

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 2 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

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 HDAC2 113/4885GPR119 1617/4885HDAC1 259/4885

“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.