SCHEMBL2374755

SCHEMBL2374755

c1ccc(C(Cc2cccs2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP2C19 P33261 1/20 0.42
SLC6A3 Q01959 1/20 0.41
IDO1 P14902 2/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSC P53634 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL2467478 0.77 MEN1 (0.53) MEN1KMT2APKMCTDSP1CYP2C19
SCHEMBL10453959 0.74 MEN1 (0.53) MEN1KMT2APKMCTDSP1SLC6A3
SCHEMBL3966889 0.74 MEN1 (0.53) MEN1KMT2APKMCTDSP1SLC6A3
SCHEMBL2465315 0.72 PKM (0.62) NPC1MEN1KMT2APKMCTDSP1
SCHEMBL3121803 0.72 MEN1 (0.54) MEN1KMT2APKMCTDSP1SLC6A3
SCHEMBL1005727 0.72 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2085660 0.72 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL966816 0.72 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL8921364 0.72 MEN1 (0.54) MEN1KMT2APKMCTDSP1SLC6A3
SCHEMBL5508578 0.71 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-15 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 NPC1 216/4885RAB9A 3028/4885SMN1; SMN2 2286/4885

“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.