SCHEMBL5381535

SCHEMBL5381535

CN(C)C(=O)n1cnc(SCC23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD11B1 P28845 5/20 0.35
DPP4 P27487 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
P2RX7 Q99572 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5381808 0.75 DPP4 (0.43) ALDH1A1HSD11B1DPP4SMN1; SMN2GAA
SCHEMBL11376332 0.71 ACHE (0.36) DPP4KMT2AMEN1
SCHEMBL5376216 0.69 NPC1 (0.52) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5374193 0.68 DPP4 (0.49) ALDH1A1DPP4KMT2ANPC1RAB9A
SCHEMBL5374190 0.68 DPP4 (0.49) ALDH1A1DPP4KMT2ANPC1RAB9A
SCHEMBL5374063 0.68 DPP4 (0.36) ALDH1A1DPP4SMN1; SMN2KMT2AMEN1
SCHEMBL10509918 0.64 DPP4 (0.35) DPP4LMNA
SCHEMBL5381803 0.63 RORC (0.38) ALDH1A1
SCHEMBL10509749 0.62 NPC1 (0.35) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL18179632 0.62 ALDH1A1 (0.34) ALDH1A1DPP4KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
US-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2004-09-23 US disclosed
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258480-A1 Pharmaceutical use of N-Carbamoylazole derivatives Eisai Co., Ltd. (JP) 2002-11-20 EP 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 (2 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-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885HSD11B1 927/4885DPP4 1/4885
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885HSD11B1 927/4885DPP4 1/4885

“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.