SCHEMBL209087

SCHEMBL209087

Brc1ccc2c[c]cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
BACE1 P56817 2/20 0.42
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
AHR P35869 1/20 0.31
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL9003 0.84 BACE1 (0.41) HTTCYP1A2CYP2C19BACE1PABPC1
SCHEMBL5748176 0.78 ALDH1A1 (0.52) CYP1A2BACE1PABPC1CYP2A6ALDH1A1
SCHEMBL3389355 0.76 ALDH1A1 (0.50) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5748301 0.73 HPGDS (0.38) CYP2A6ALDH1A1KDM4EMETAP2
SCHEMBL16289398 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL695179 0.72 BACE1 (0.42) BACE1DYRK1APIK3R1PIK3CAPLG
SCHEMBL207977 0.72 TYMS (0.33)
SCHEMBL2894578 0.72 EGFR (0.53) CYP1A2CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL5749950 0.72 CYP1A2 (0.41) HTTCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL2902398 0.72 BACE1 (0.42) BACE1KDM4EMEN1KMT2AMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
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 claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed

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 HTT 2458/4885CYP1A2 3302/4885CYP2C19 1876/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 HTT 1692/4885CYP1A2 95/4885CYP2C19 152/4885
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 HTT 3634/4885CYP1A2 3257/4885CYP2C19 1910/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTT 2522/4885CYP1A2 544/4885CYP2C19 504/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885CYP1A2 2631/4885CYP2C19 1616/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HTT 1833/4885CYP1A2 273/4885CYP2C19 530/4885

“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.