SCHEMBL3545542

SCHEMBL3545542

CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Sc2ccc(Cl)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP3A5 P20815 2/20 0.44
PDK2 Q15119 1/20 0.42
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
TACR1 P25103 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
STS P08842 2/20 0.38
PARP1 P09874 4/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
CCR5 P51681 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3549049 0.90 CYP3A4 (0.44) CYP3A4CYP3A5USP30MEN1KMT2A
SCHEMBL3544412 0.90 MEN1 (0.42) CYP3A4PDK2MEN1KMT2AANO1
SCHEMBL3544866 0.89 ANO1 (0.42) PDK2MEN1KMT2AANO1TACR1
SCHEMBL3544616 0.86 MEN1 (0.46) PDK2MEN1KMT2AHDAC1HDAC8
SCHEMBL3539688 0.84 PDK2 (0.41) PDK2MEN1KMT2ATACR1HDAC1
SCHEMBL3538854 0.83 HDAC2 (0.41) PDK2MEN1KMT2ATACR1HDAC1
SCHEMBL3540583 0.82 MEN1 (0.40) CYP3A4CYP3A5MEN1KMT2AHDAC1
SCHEMBL3543561 0.82 PDK2 (0.40) PDK2MEN1KMT2ATACR1HDAC1
SCHEMBL3540730 0.82 HTR1A (0.47) PDK2USP30MEN1KMT2AHDAC1
SCHEMBL13349785 0.81 GPR119 (0.44) PDK2USP30TACR1HDAC1HDAC8

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 CYP3A4 1381/4885CYP3A5 737/4885PDK2 98/4885

“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.