SCHEMBL441130

SCHEMBL441130

CC(C)(C)OC(=O)N1CCCCC1C(=O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
UCHL1 P09936 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL2136252 0.87 NPC1 (0.53) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL1795426 0.87 NPC1 (0.53) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL1251121 0.87 NPC1 (0.53) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL8221674 0.86 NPC1 (0.55) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL25353468 0.86 LMNA (0.56) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL4834357 0.86 UCHL1 (0.49) NPC1UCHL1LMNANPSR1KDM4E
SCHEMBL5206537 0.85 NPC1 (0.54) NPC1UCHL1LMNANPSR1HRH2
SCHEMBL2134992 0.85 NPC1 (0.54) NPC1UCHL1LMNANPSR1POLB
SCHEMBL2136506 0.85 NPC1 (0.54) NPC1UCHL1LMNANPSR1POLB
SCHEMBL2134985 0.85 NPC1 (0.54) NPC1UCHL1LMNANPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021258010-A1 OXIME COMPOUNDS USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2021-12-23 WO disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
US-8436019-B2 Sulfonyl-piperidin-4-yl methylamine amide analogs as GlyT1 inhibitors, methods for making same, and use of same in treating psychiatric disorders VANDERBILT UNIVERSITY (US) 2013-05-07 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NPC1 142/4885UCHL1 2851/4885LMNA 4016/4885

“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.