SCHEMBL16670482

SCHEMBL16670482

CC(C)(C)OC(=O)NC1CC2(CCNC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
GAA P10253 2/20 0.40
EPHX2 P34913 1/20 0.39
CTSK P43235 2/20 0.39
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
HSD11B1 P28845 3/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL30327314 0.99 BTK (0.40) BTKGAAEPHX2CTSKNFKB1
SCHEMBL8325385 0.91 BTK (0.43) BTKGAAEPHX2CTSKNFKB1
SCHEMBL21287424 0.90 BTK (0.42) BTKGAAEPHX2CTSKNFKB1
SCHEMBL26969338 0.90 BTK (0.42) BTKGAAEPHX2CTSKNFKB1
SCHEMBL8894795 0.88 BTK (0.45) BTKGAAEPHX2CTSKNFKB1
Hydrochloric Acid SCHEMBL25282690 0.86 BTK (0.44) BTKGAAEPHX2CTSKNFKB1
Oxalic Acid SCHEMBL30558780 0.84 BTK (0.46) BTKGAAEPHX2CTSKNFKB1
SCHEMBL14669045 0.82 BTK (0.49) BTKGAAEPHX2CTSKNFKB1
SCHEMBL14564127 0.82 EPHX2 (0.42) BTKGAAEPHX2CTSKNFKB1
SCHEMBL24993887 0.82 BTK (0.44) BTKGAAEPHX2CTSKCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601807-B Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2023-03-31 CN disclosed
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 US disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-20220241281-A1 Imidazopyrimidine Derivatives GILEAD SCIENCES, INC. 2022-08-04 US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 US disclosed
US-20220204495-A1 INHIBITING TRABID Valo Health, LLC 2022-06-30 US disclosed
US-20220204495-A1 INHIBITING TRABID Valo Health, LLC 2022-06-30 US disclosed
WO-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 WO disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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 (7 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885GAA 3319/4885EPHX2 1606/4885
US-20220241281-A1 Imidazopyrimidine Derivatives DPYD, KRAS, ABL1 BTK 137/4885GAA 487/4885EPHX2 3880/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED BTK 3942/4885GAA 3576/4885EPHX2 2688/4885
US-20220204495-A1 INHIBITING TRABID TPO, PRKACG, NFKBIA BTK 2670/4885GAA 381/4885EPHX2 1364/4885
US-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 BTK 1068/4885GAA 173/4885EPHX2 4197/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 BTK 3974/4885GAA 3501/4885EPHX2 2813/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885GAA 3319/4885EPHX2 1606/4885

“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.