SCHEMBL3544866

SCHEMBL3544866

Cc1cc(Cl)ccc1Sc1ccccc1C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDK2 Q15119 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
STS P08842 2/20 0.39
CCR5 P51681 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TACR1 P25103 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
POLB P06746 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
SCHEMBL3544412 0.91 MEN1 (0.42) ANO1MEN1KMT2APDK2HDAC1
SCHEMBL3545542 0.89 CYP3A4 (0.44) ANO1MEN1KMT2APDK2HDAC1
SCHEMBL3544616 0.87 MEN1 (0.46) MEN1KMT2APDK2APPHDAC1
SCHEMBL653589 0.84 L3MBTL1 (0.50) ANO1MEN1KMT2AL3MBTL1STS
SCHEMBL3540730 0.82 HTR1A (0.47) MEN1KMT2APDK2HDAC1HDAC8
SCHEMBL3547364 0.82 L3MBTL1 (0.44) MEN1KMT2APDK2L3MBTL1
SCHEMBL3545000 0.82 PDK2 (0.41) MEN1KMT2APDK2L3MBTL1HDAC1
SCHEMBL13349785 0.82 GPR119 (0.44) PDK2HDAC1HDAC8HDAC6ALOX15
SCHEMBL546768 0.81 GPR119 (0.43) MEN1KMT2APDK2L3MBTL1HDAC1
SCHEMBL3543561 0.79 PDK2 (0.40) MEN1KMT2APDK2HDAC1HDAC8

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 ANO1 2489/4885MEN1 4709/4885KMT2A 2289/4885

“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.