SCHEMBL206485

SCHEMBL206485

Fc1ccc2[c]nccc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
AHR P35869 1/20 0.32
MAPT P10636 2/20 0.32
TRPA1 O75762 3/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL209074 0.83 BACE1 (0.38) BACE1CYP1A2CYP2A6AHRMAPT
SCHEMBL209296 0.77 CYP2A6 (0.38) CYP2A6AHRPDE3BPDE3A
SCHEMBL206447 0.75 BACE1 (0.38) BACE1CYP1A2CYP2A6AHRMAPT
SCHEMBL2356812 0.75 CYP1A2 (0.42) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL29119722 0.75 PLAU (0.41) CYP2A6MAPTKDM4E
SCHEMBL28719416 0.72 ROCK1 (0.47) CYP2A6
SCHEMBL28535007 0.71 BACE1 (0.43) BACE1MAPTNPC1KDM4E
SCHEMBL577971 0.71 RAB9A (0.46) CYP1A2CYP2A6TRPA1NPC1KDM4E
SCHEMBL15512056 0.71 ALDH1A1 (0.35) CYP1A2MAPTNPC1
SCHEMBL207876 0.71 HDAC8 (0.34)

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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 BACE1 3326/4885CYP1A2 238/4885CYP2A6 1201/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP1A2 2631/4885CYP2A6 2751/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP1A2 2631/4885CYP2A6 2751/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885CYP1A2 2631/4885CYP2A6 2751/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BACE1 2450/4885CYP1A2 2267/4885CYP2A6 2519/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BACE1 1672/4885CYP1A2 2535/4885CYP2A6 2464/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BACE1 3719/4885CYP1A2 273/4885CYP2A6 1405/4885

“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.