SCHEMBL1503968

SCHEMBL1503968

CN(C)C(=O)[C@H]1CC[C@H](NC(=S)C(=O)Nc2ccc(F)cc2)[C@H](NC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
F10 P00742 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
CAPN1 P07384 1/20 0.36

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
SCHEMBL1503972 1.00 RAB9A (0.39) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4263467 0.86 NPC1 (0.36) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4263462 0.86 NPC1 (0.36) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL4955283 0.86 F10 (0.39) F10
SCHEMBL1504053 0.85 F10 (0.43) RAB9ANPC1F10
SCHEMBL2941002 0.85 F10 (0.43) RAB9ANPC1F10
SCHEMBL6363394 0.82 LMNA (0.35) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL6363398 0.82 LMNA (0.35) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL13394454 0.79 NPC1 (0.36) RAB9AMAPTKMT2ANPC1MEN1
SCHEMBL6891023 0.79 F10 (0.38) 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 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 RAB9A 2734/4885MAPT 4302/4885KMT2A 1453/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885MAPT 4271/4885KMT2A 3485/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3294/4885MAPT 4271/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885MAPT 4271/4885KMT2A 3485/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3393/4885MAPT 4343/4885KMT2A 3179/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885MAPT 4302/4885KMT2A 1453/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885MAPT 4230/4885KMT2A 3461/4885

“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.