SCHEMBL1504199

SCHEMBL1504199

CN(C)C(=O)[C@H]1CCCC(N(NC(=O)C(=NO)Nc2ccc(Cl)cc2)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
RAB9A P51151 4/20 0.36
GAA P10253 2/20 0.36
CCR1 P32246 8/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1503995 0.77 L3MBTL1 (0.44) TSHRRAB9AGAANPC1SMN1; SMN2
SCHEMBL1503903 0.76 AGER (0.40) RAB9AGAAHTTPOLBKMT2A
SCHEMBL1504195 0.75 F10 (0.40) TSHRKMT2A
SCHEMBL1504189 0.75 F10 (0.40) TSHRKMT2A
SCHEMBL1504206 0.75 MCHR1 (0.42) RAB9AGAAHTTPOLBKMT2A
SCHEMBL4955316 0.73 KCNQ3 (0.36)
SCHEMBL6362834 0.73 TSHR (0.33) TSHRRAB9AGAACCR1KMT2A
SCHEMBL1504138 0.72 L3MBTL1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1503895 0.72 F10 (0.48) RAB9APOLBKMT2ANPC1MEN1
SCHEMBL6891046 0.70 PRMT5 (0.31) KMT2AMEN1MAPT

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 19 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-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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-20060252837-A1 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 PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 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 (10 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 TSHR 1514/4885RAB9A 2734/4885GAA 2113/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL TSHR 312/4885RAB9A 1817/4885GAA 1144/4885
US-20060252837-A1 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 F2, C1S, C9 TSHR 299/4885RAB9A 3368/4885GAA 4757/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885GAA 4788/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885GAA 4788/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885GAA 4788/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R TSHR 456/4885RAB9A 3393/4885GAA 4849/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 TSHR 186/4885RAB9A 1678/4885GAA 4486/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 TSHR 1514/4885RAB9A 2734/4885GAA 2113/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R TSHR 411/4885RAB9A 3496/4885GAA 4829/4885

“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.