SCHEMBL740820

SCHEMBL740820

CC1(N2CCc3nc(C(=O)O)sc3C2)CC1.[LiH]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
F10 P00742 11/20 0.34
GAA P10253 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6423539 0.99 GRM5 (0.35) GRM5NPC1RAB9AF10GAA
Lithium Ion SCHEMBL740819 0.85 F10 (0.33) GRM5NPC1RAB9AF10GAA
SCHEMBL207703 0.79 F10 (0.49) GRM5F10
SCHEMBL1251008 0.77 F10 (0.50) GRM5F10
Lithium SCHEMBL30832626 0.76 F10 (0.49) GRM5F10
SCHEMBL741902 0.75 NPC1 (0.37) GRM5NPC1RAB9AF10GAA
SCHEMBL741699 0.75 F10 (0.46) F10HDAC3HDAC1HDAC6
SCHEMBL28895700 0.74 GRM5 (0.44) GRM5NPC1RAB9AHDAC3HDAC1
SCHEMBL3308766 0.74 F10 (0.40) GRM5F10
SCHEMBL15014912 0.73 RAD52 (0.60) GRM5NPC1RAB9AF10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
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
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 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-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 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
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 GRM5 4014/4885NPC1 2819/4885RAB9A 3604/4885
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 GRM5 2118/4885NPC1 3879/4885RAB9A 3368/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885NPC1 3358/4885RAB9A 3294/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GRM5 1573/4885NPC1 4535/4885RAB9A 2734/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GRM5 2242/4885NPC1 3454/4885RAB9A 3496/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 GRM5 4145/4885NPC1 3046/4885RAB9A 2158/4885

“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.