SCHEMBL7368138

SCHEMBL7368138

CC(C)(C)OC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.51
NMBR P28336 1/20 0.41
LTA4H P09960 1/20 0.38
CPB1 P15086 3/20 0.36
CPB2 Q96IY4 3/20 0.36

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
SCHEMBL17859348 1.00 SIRT2 (0.51) SIRT2NMBRLTA4HCPB1CPB2
SCHEMBL29823742 0.89 SIRT2 (0.47) SIRT2NMBRCPB1CPB2
SCHEMBL523065 0.88 SIRT2 (0.60) SIRT2NMBRCPB1CPB2
SCHEMBL10026712 0.88 SIRT2 (0.60) SIRT2NMBRCPB1CPB2
SCHEMBL522051 0.88 SIRT2 (0.60) SIRT2NMBRCPB1CPB2
Hydrochloric Acid SCHEMBL522050 0.87 SIRT2 (0.59) SIRT2NMBRCPB1CPB2
Hydrochloric Acid SCHEMBL523064 0.87 SIRT2 (0.59) SIRT2NMBRCPB1CPB2
Hydrochloric Acid SCHEMBL522052 0.87 SIRT2 (0.59) SIRT2NMBRCPB1CPB2
SCHEMBL21690129 0.84 SIRT2 (0.49) SIRT2CPB1CPB2
SCHEMBL6773700 0.84 SIRT2 (0.49) SIRT2CPB1CPB2

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-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-27 US disclosed
EP-3786151-B1 METHOD FOR PRODUCING AMIDE COMPOUND CHUBU UNIV EDUCATIONAL FOUNDATION (JP) 2023-06-07 EP disclosed
US-11512108-B2 Method for producing amide compound CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2022-11-29 US disclosed
EP-4053101-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME Chubu University Educational Foundation (JP) 2022-09-07 EP disclosed
US-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MALLINCKRODT LLC (US) 2014-09-18 US disclosed
EP-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 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 (3 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-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MMP3, MMP26, MMP10 SIRT2 779/4885NMBR 1091/4885LTA4H 1029/4885
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME NAAA, FAAH, FAAH2 SIRT2 1041/4885NMBR 2283/4885LTA4H 158/4885
US-11512108-B2 Method for producing amide compound BCAT2, ASNS, VIP SIRT2 271/4885NMBR 3165/4885LTA4H 1345/4885

“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.