SCHEMBL18484241

SCHEMBL18484241

CC(C)N1CC2C(C1)C2NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
BTK Q06187 1/20 0.39
GAA P10253 3/20 0.38
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
SSTR4 P31391 1/20 0.36
CA7 P43166 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL20147716 0.86 CTSK (0.40) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL12026396 0.85 CTSK (0.50) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL14820382 0.81 CTSK (0.45) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL20626705 0.80 CTSK (0.40) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL14577548 0.79 CTSK (0.44) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL14806562 0.79 CTSK (0.44) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL25872149 0.78 CTSK (0.39) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL25497147 0.78 NR1H2 (0.47) CTSKNFKB1NFKB2RELACA1
SCHEMBL13016625 0.77 CTSK (0.42) CTSKNFKB1NFKB2RELAHRH3
SCHEMBL14024975 0.76 CTSK (0.59) CTSKHRH3CA1CA2BTK

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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 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 (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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CTSK 2323/4885NFKB1 785/4885NFKB2 1700/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B CTSK 2743/4885NFKB1 2218/4885NFKB2 2654/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CTSK 3960/4885NFKB1 2063/4885NFKB2 1423/4885

“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.