SCHEMBL209278

SCHEMBL209278

NCc1ccccc1-c1cc[c]cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.69
PNMT P11086 3/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ADRA2C P18825 1/20 0.37
KMT2A Q03164 1/20 0.36
HTR7 P34969 1/20 0.35
CYP2C19 P33261 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATR Q13535 1/20 0.32
FOLH1 Q04609 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 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
SCHEMBL28906763 0.82 DPP4 (0.47) DPP4PNMTADRA2CPDCD1CD274
SCHEMBL29872374 0.82 DPP4 (1.00) DPP4PNMTKMT2AHTR7PDCD1
SCHEMBL469051 0.82 DPP4 (1.00) DPP4PNMTKMT2AHTR7PDCD1
SCHEMBL744382 0.81 PDCD1 (0.47) DPP4KMT2APDCD1CD274ALDH1A1
Hydrochloric Acid SCHEMBL4776720 0.80 DPP4 (0.95) DPP4PNMTNOS3NOS1NOS2
SCHEMBL533409 0.79 DPP4 (0.42) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL25398438 0.79 DPP4 (0.62) DPP4PNMTNOS3NOS1NOS2
SCHEMBL2981250 0.78 DPP4 (0.91) DPP4PNMTNOS3NOS1NOS2
SCHEMBL8056686 0.78 DPP4 (0.52) DPP4PNMTNOS3NOS1NOS2
SCHEMBL8146098 0.78 DPP4 (0.41) DPP4ADRA2CKMT2ACYP2C19PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1373755-A Azacycloalkanone serine protease inhibitors DIMENSIONAL PHARM INC (US) 2002-10-09 CN claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
CN-105061509-A Ligands and catalyst systems thereof for the catalytic oligomerization of olefinic monomers SHELL INT RESEARCH 2015-11-18 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN 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
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-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
CN-1527849-A Supported olefin polymerization catalysts ��Ļ���Ű˾ 2004-09-08 CN 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
CN-1373755-A Azacycloalkanone serine protease inhibitors DIMENSIONAL PHARM INC (US) 2002-10-09 CN disclosed
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 CN 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 (5 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-20050020645-A1 Diamine derivatives C9, C1S, C1R DPP4 3147/4885PNMT 3340/4885NOS3 225/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R DPP4 3147/4885PNMT 3340/4885NOS3 225/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R DPP4 3147/4885PNMT 3340/4885NOS3 225/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 DPP4 113/4885PNMT 1792/4885NOS3 939/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R DPP4 3574/4885PNMT 3441/4885NOS3 229/4885

“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.