SCHEMBL1503858

SCHEMBL1503858

COCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)s2)[C@H](NC(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.42
CYP2D6 P10635 2/20 0.38
CCR3 P51677 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
NAMPT P43490 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM5A P29375 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL4270359 0.88 F10 (0.40) F10CYP2D6CCR3L3MBTL1FPR1
SCHEMBL4270362 0.88 F10 (0.40) F10CYP2D6CCR3L3MBTL1FPR1
SCHEMBL6362922 0.84 F10 (0.36) F10CYP2D6CCR3SMN1; SMN2L3MBTL1
SCHEMBL1503937 0.83 SMN1; SMN2 (0.43) F10SMN1; SMN2L3MBTL1FPR1FPR2
SCHEMBL1252659 0.81 F10 (0.66) F10
Hydrochloric Acid SCHEMBL1504280 0.80 F10 (0.65) F10
SCHEMBL1503901 0.80 F10 (0.43) F10SMN1; SMN2L3MBTL1FPR1FPR2
SCHEMBL1504205 0.79
SCHEMBL1503899 0.76 ALDH1A1 (0.40) F10CYP2D6CCR3SMN1; SMN2L3MBTL1
SCHEMBL4952000 0.76 F10 (0.42) F10SMN1; SMN2L3MBTL1FPR1FPR2

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 4/4885CYP2D6 1747/4885CCR3 2408/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F10 196/4885CYP2D6 577/4885CCR3 960/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 196/4885CYP2D6 577/4885CCR3 960/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F10 196/4885CYP2D6 577/4885CCR3 960/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 72/4885CYP2D6 521/4885CCR3 614/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 F10 4/4885CYP2D6 1747/4885CCR3 2408/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F10 138/4885CYP2D6 476/4885CCR3 768/4885

“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.