SCHEMBL1503901

SCHEMBL1503901

COCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
IDO1 P14902 4/20 0.42
F2 P00734 1/20 0.40
F5 P12259 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
TDO2 P48775 2/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
RAB9A P51151 2/20 0.39
USP30 Q70CQ3 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4953028 0.91 IDO1 (0.41) F10IDO1F2F5L3MBTL1
SCHEMBL1503899 0.89 ALDH1A1 (0.40) F10L3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12056085 0.89 IDO1 (0.43) F10IDO1F2F5L3MBTL1
SCHEMBL4267730 0.89 IDO1 (0.39) F10IDO1F2F5L3MBTL1
SCHEMBL4267724 0.89 IDO1 (0.39) F10IDO1F2F5L3MBTL1
SCHEMBL1503937 0.86 SMN1; SMN2 (0.43) F10IDO1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1503709 0.85 MAPK11 (0.44) F10IDO1F2F5L3MBTL1
SCHEMBL14262207 0.85 MAPK11 (0.44) F10IDO1F2F5L3MBTL1
Hydrochloric Acid SCHEMBL3306732 0.85 MAPK11 (0.44) F10IDO1F2F5L3MBTL1
SCHEMBL2187031 0.85 MAPK11 (0.42) F10IDO1F2F5L3MBTL1

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-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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 F10 4/4885IDO1 1369/4885F2 1/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F10 196/4885IDO1 1392/4885F2 4/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 196/4885IDO1 1392/4885F2 4/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F10 196/4885IDO1 1392/4885F2 4/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 72/4885IDO1 1747/4885F2 4/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 F10 4/4885IDO1 1369/4885F2 1/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F10 138/4885IDO1 1600/4885F2 4/4885

“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.