SCHEMBL1504053

SCHEMBL1504053

CN(C)C(=O)[C@H]1CC[C@H](NC(=S)C(=O)Nc2ccc(F)cn2)[C@H](NC(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.43
F2 P00734 1/20 0.43
F5 P12259 1/20 0.43
GRM5 P41594 6/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNT1 O60563 1/20 0.33
CRHR1 P34998 1/20 0.33
ABL1 P00519 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
SCHEMBL2941002 1.00 F10 (0.43) F10F2F5GRM5CYP46A1
SCHEMBL4954407 0.90 RAB9A (0.44) F10F2F5NPC1RAB9A
SCHEMBL1504130 0.89 F10 (0.54) F10F2F5NPC1RAB9A
SCHEMBL3302354 0.88 F10 (0.40) F10F2F5GRM5CYP46A1
SCHEMBL3302347 0.88 F10 (0.40) F10F2F5GRM5CYP46A1
SCHEMBL12101136 0.88 F10 (0.39) F10F2F5GRM5CYP46A1
Hydrochloric Acid SCHEMBL3305337 0.87 F10 (0.38) F10F2F5GRM5CYP46A1
SCHEMBL1503968 0.85 RAB9A (0.39) F10NPC1RAB9A
SCHEMBL1503972 0.85 RAB9A (0.39) F10NPC1RAB9A
SCHEMBL6362265 0.84 F10 (0.36) F10F2F5GRM5CYP46A1

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 4/4885F2 1/4885F5 14/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F10 196/4885F2 4/4885F5 48/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 196/4885F2 4/4885F5 48/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F10 196/4885F2 4/4885F5 48/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 72/4885F2 4/4885F5 19/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 F10 4/4885F2 1/4885F5 14/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F10 138/4885F2 4/4885F5 29/4885

“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.