SCHEMBL1503944

SCHEMBL1503944

CN(C)C(=O)[C@H]1CCCC(N(NC(=O)c2cc3ccc(Cl)cc3nn2)C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.48
HPGDS O60760 1/20 0.33
GRM5 P41594 1/20 0.33
PTGES O14684 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
INSR P06213 1/20 0.32
ITK Q08881 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL1504044 0.88 F10 (0.48) F10GRM5PYGL
SCHEMBL4271730 0.88 F10 (0.44) F10HPGDSGRM5PTGES
SCHEMBL1503902 0.84 F10 (0.48) F10HPGDS
SCHEMBL1503895 0.82 F10 (0.48) F10GRM5NPC1RAB9APYGL
SCHEMBL1504174 0.81 F10 (0.42) F10PYGL
SCHEMBL4267069 0.80 F10 (0.40) F10HPGDSPTGES
SCHEMBL1504340 0.78 F10 (0.45) F10PYGL
SCHEMBL1503941 0.77 F10 (0.66) F10
SCHEMBL12035777 0.76 F10 (0.61) F10
SCHEMBL4263703 0.76 F10 (0.44) 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 13 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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US 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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 F10 4/4885HPGDS 468/4885GRM5 1573/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F10 196/4885HPGDS 386/4885GRM5 2219/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 196/4885HPGDS 386/4885GRM5 2219/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F10 196/4885HPGDS 386/4885GRM5 2219/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 F10 4/4885HPGDS 468/4885GRM5 1573/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F10 138/4885HPGDS 253/4885GRM5 2242/4885

“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.