SCHEMBL206447

SCHEMBL206447

Brc1ccc2[c]nccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
NOS1 P29475 2/20 0.34
METAP2 P50579 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PLAU P00749 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
AHR P35869 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
SCHEMBL208082 0.83 BACE1 (0.38) BACE1CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL2356812 0.75 CYP1A2 (0.42) BACE1CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL206485 0.75 BACE1 (0.38) BACE1CYP2A6KDM4EMAPTCYP1A2
SCHEMBL27202903 0.72 HTT (0.32) KMT2AHTT
SCHEMBL577971 0.71 RAB9A (0.46) CYP2A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL207876 0.71 HDAC8 (0.34)
SCHEMBL15512056 0.71 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2AMETAP2
SCHEMBL577942 0.69 BACE1 (0.38) BACE1KDM4E
SCHEMBL2080 0.69 ALDH1A1 (0.35) BACE1CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL3141049 0.68 ALDH1A1 (0.41) CYP2A6ALDH1A1MAPTCYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN 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-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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 (6 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 BACE1 3326/4885CYP2A6 1201/4885ALDH1A1 2105/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP2A6 2751/4885ALDH1A1 3319/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP2A6 2751/4885ALDH1A1 3319/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP2A6 2751/4885ALDH1A1 3319/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BACE1 1672/4885CYP2A6 2464/4885ALDH1A1 3734/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BACE1 3719/4885CYP2A6 1405/4885ALDH1A1 2109/4885

“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.