SCHEMBL3564939

SCHEMBL3564939

CC(C)(C)OC(=O)N1CCCC1c1nc(-n2ccnc2)ns1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.37
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
PIK3CD O00329 1/20 0.36
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL30563646 0.71 PKM (0.46) GPR119ALDH1A1NPC1L3MBTL1TSHR
SCHEMBL8105531 0.70 ALDH1A1 (0.45) ALDH1A1NPC1USP30L3MBTL1TSHR
SCHEMBL8121502 0.70 ALDH1A1 (0.45) ALDH1A1NPC1USP30L3MBTL1TSHR
SCHEMBL28712934 0.69 NPC1 (0.42) GPR119ALDH1A1NPC1UCHL1L3MBTL1
SCHEMBL28136007 0.69 NPC1 (0.42) GPR119ALDH1A1NPC1UCHL1L3MBTL1
SCHEMBL2637262 0.69 HSD11B1 (0.67) UCHL1USP30HSD11B1
SCHEMBL2637264 0.69 HSD11B1 (0.67) UCHL1USP30HSD11B1
SCHEMBL30148110 0.69 ALDH1A1 (0.46) GPR119ALDH1A1NPC1UCHL1USP30
SCHEMBL29716174 0.69 ALDH1A1 (0.48) ALDH1A1NPC1L3MBTL1TSHRKMT2A
SCHEMBL6468249 0.68 HSD11B1 (0.45) ALDH1A1UCHL1USP30L3MBTL1TSHR

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 GPR119 838/4885ALDH1A1 2795/4885NPC1 3827/4885

“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.