SCHEMBL2956414

SCHEMBL2956414

CC(C)(C)N(CCN1CCNCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR4 P61073 1/20 0.33
LMNA P02545 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
SCHEMBL22034009 0.90 MEN1 (0.41) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2949127 0.82 THRB (0.39) ALDH1A1SMN1; SMN2POLB
SCHEMBL40197 0.80 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15812850 0.78 HRH3 (0.33) CHRM3
SCHEMBL22164502 0.78 SIGMAR1 (0.41) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4887482 0.73 GAA (0.38) SIGMAR1KMT2APOLB
SCHEMBL29823062 0.73 ALDH1A1 (0.41) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1618059 0.73
SCHEMBL3321784 0.72 HRH3 (0.44) ALDH1A1MAPTSMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL3809378 0.72 ALDH1A1 (0.39) SIGMAR1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947086-B1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-01-03 EP disclosed
US-9580432-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-02-28 US disclosed
US-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-04-28 US disclosed
EP-2947086-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2015-11-25 EP disclosed
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
EP-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 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 (6 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-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC SIGMAR1 971/4885ALDH1A1 2845/4885MEN1 3788/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 SIGMAR1 766/4885ALDH1A1 286/4885MEN1 1097/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC SIGMAR1 971/4885ALDH1A1 2845/4885MEN1 3788/4885
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG SIGMAR1 2330/4885ALDH1A1 2642/4885MEN1 1927/4885
US-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF BTK, JAK2, SYK SIGMAR1 4212/4885ALDH1A1 3833/4885MEN1 3744/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG SIGMAR1 2330/4885ALDH1A1 2642/4885MEN1 1927/4885

“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.