SCHEMBL81984

SCHEMBL81984

CC(C)(C)OC(=O)NC1(C)CNC(=O)C12CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK10 P53779 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31

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
SCHEMBL13021392 1.00 GAA (0.35) GAANFKB1NFKB2RELAMAPK10
SCHEMBL2670115 0.73 GAA (0.33) GAANFKB1NFKB2RELAMAPK10
SCHEMBL7394465 0.73 HPGDS (0.40) GAANFKB1NFKB2RELAMAPK10
SCHEMBL82732 0.71 MEN1 (0.37) GAAMEN1MAPK1KMT2A
SCHEMBL740167 0.71 MEN1 (0.37) GAAMEN1MAPK1KMT2A
SCHEMBL14019259 0.71 GAA (0.35) GAANFKB1NFKB2RELAMAPK10
SCHEMBL16493228 0.70 GAA (0.40) GAANFKB1NFKB2RELAMAPK10
SCHEMBL20887942 0.69 CRBN (0.36) GAANFKB1NFKB2RELAMAPK10
SCHEMBL27841938 0.68 MEN1 (0.36) GAANFKB1NFKB2RELAMEN1
SCHEMBL2087734 0.68 RORC (0.43) GAANFKB1NFKB2RELAMEN1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (5 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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 GAA 2069/4885NFKB1 3784/4885NFKB2 4206/4885
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 GAA 438/4885NFKB1 1051/4885NFKB2 1918/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L GAA 3745/4885NFKB1 951/4885NFKB2 2016/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 GAA 1980/4885NFKB1 3028/4885NFKB2 2640/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 GAA 1156/4885NFKB1 196/4885NFKB2 576/4885

“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.