SCHEMBL2186646

SCHEMBL2186646

CN(C)C(=O)C1CCCC(N(NC(=O)c2[nH]c3ccc(Cl)cc3c2F)C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.48
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
PYGL P06737 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SIRT1 Q96EB6 2/20 0.36
MAP2 P11137 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL2186635 1.00 F10 (0.48) F10PTGS2KDM4EALDH1A1HPGD
SCHEMBL4263723 0.88 F10 (0.45) F10PTGS2KDM4EALDH1A1HPGD
SCHEMBL2938934 0.88 F10 (0.45) F10PTGS2KDM4EALDH1A1HPGD
SCHEMBL1504174 0.79 F10 (0.42) F10PYGL
SCHEMBL12035740 0.77 F10 (0.61) F10PTGS2KDM4EALDH1A1HPGD
SCHEMBL1503895 0.76 F10 (0.48) F10PYGLMEN1KMT2A
SCHEMBL1504157 0.75 ALDH1A1 (0.46) F10ALDH1A1SMN1; SMN2MAPT
SCHEMBL1504044 0.73 F10 (0.48) F10PYGL
SCHEMBL1503944 0.73 F10 (0.48) F10PYGL
SCHEMBL1503902 0.72 F10 (0.48) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 F10 4/4885PTGS2 1584/4885KDM4E 588/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F10 196/4885PTGS2 1854/4885KDM4E 3971/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 196/4885PTGS2 1854/4885KDM4E 3971/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F10 196/4885PTGS2 1854/4885KDM4E 3971/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F10 138/4885PTGS2 1692/4885KDM4E 3759/4885

“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.