SCHEMBL209351

SCHEMBL209351

CN(C)C(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.69
F3 P13726 1/20 0.69
NR4A2 P43354 2/20 0.64
NHERF1 O14745 4/20 0.54
PYGL P06737 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49

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
SCHEMBL7461245 0.88 F7 (0.65) F7F3NR4A2NHERF1PYGL
SCHEMBL22864436 0.83 NR4A2 (0.63) F7F3NR4A2RAB9A
SCHEMBL5912617 0.82 F7 (0.75) F7F3NR4A2NHERF1PYGL
SCHEMBL1434913 0.82 F7 (1.00) F7F3NR4A2NHERF1PYGL
SCHEMBL29805074 0.81 NR4A2 (0.64) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL207031 0.81 KDM4E (0.57) NPC1
SCHEMBL22955673 0.80 F7 (0.58) F7F3NR4A2NHERF1PYGL
SCHEMBL592274 0.80 F7 (0.77) F7F3NR4A2NHERF1PYGL
SCHEMBL1399354 0.79 ALDH1A1 (0.64) F7F3NR4A2
SCHEMBL3590666 0.79 F7 (0.75) F7F3NR4A2NHERF1PYGL

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 US disclosed
EP-3936126-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-12 EP disclosed
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 EP disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 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-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 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
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (8 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S F7 912/4885F3 32/4885NR4A2 1763/4885
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 F7 4383/4885F3 4159/4885NR4A2 3646/4885
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 F7 47/4885F3 11/4885NR4A2 2850/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R F7 639/4885F3 21/4885NR4A2 3125/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R F7 639/4885F3 21/4885NR4A2 3125/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R F7 639/4885F3 21/4885NR4A2 3125/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 F7 33/4885F3 3/4885NR4A2 3589/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R F7 609/4885F3 18/4885NR4A2 2889/4885

“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.