Sugi Predict

Sugi Predict / Compounds / SCHEMBL208240

SCHEMBL208240

SCHEMBL208240

Brc1ccc2c(c1)CCC[N]2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ BCHE P06276 5/20 0.33
▸ ACHE P22303 5/20 0.33
▸ GRIN1 Q05586 5/20 0.33
▸ GRIN2A Q12879 5/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ APP P05067 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL1435589 0.88 PNMT (0.38) PNMTASIC3NOS3NOS1NOS2
SCHEMBL208137 0.84 PNMT (0.36) PNMTASIC3NOS3NOS1NOS2
SCHEMBL1091474 0.76 ALDH1A1 (0.38) NOS3NOS1NOS2PARP10PARP11
SCHEMBL211270 0.76 KMT2A (0.36) NOS3NOS1NOS2PDK1PDK2
SCHEMBL208742 0.76 ACHE (0.41) PNMTNOS3NOS1NOS2BCHE
SCHEMBL300791 0.76 MAOA (0.43) —
SCHEMBL5539889 0.76 ADRA2A (0.36) PNMTNOS3CHRNB4CHRNA3
SCHEMBL250261 0.72 BCL2 (0.43) CYP19A1CYP11B2
SCHEMBL209189 0.72 TYMS (0.31) —
SCHEMBL5540692 0.71 PNMT (0.38) PNMTASIC3PARP10PARP11CYP19A1

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 44 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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — 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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — 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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — 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
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
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 — — US 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 PNMT 763/4885ASIC3 292/4885NOS3 542/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885ASIC3 211/4885NOS3 214/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885NOS3 225/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885NOS3 225/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885NOS3 225/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PNMT 1792/4885ASIC3 999/4885NOS3 939/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PNMT 3441/4885ASIC3 2197/4885NOS3 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.