Sugi Predict

Sugi Predict / Compounds / SCHEMBL765150

SCHEMBL765150

SCHEMBL765150

CN(C)C1CCc2nc(Cl)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.44
▸ DRD3 P35462 7/20 0.44
▸ PDK1 Q15118 1/20 0.38
▸ ROCK2 O75116 6/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ HTR7 P34969 3/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH4 Q9H3N8 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
SCHEMBL741366 0.88 DRD2 (0.35) DRD2DRD3DRD4DRD1HTR1A
SCHEMBL1504204 0.82 DRD2 (0.39) DRD2DRD3PDK1NPC1RAB9A
SCHEMBL12761311 0.81 DRD2 (0.46) DRD2DRD3PDK1ROCK2DRD4
SCHEMBL6032194 0.80 DRD3 (0.67) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL7322498 0.80 DRD3 (0.67) DRD2DRD3DRD4HTR1AHTR7
Hydrochloric Acid SCHEMBL7318892 0.79 DRD3 (0.65) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL16168694 0.78 DRD3 (0.49) DRD2DRD3PDK1ROCK2DRD4
SCHEMBL10022442 0.78 DRD2 (0.43) DRD2DRD3PDK1ROCK2DRD4
SCHEMBL10311029 0.78 DRD2 (0.43) DRD2DRD3PDK1ROCK2DRD4
SCHEMBL3310859 0.77 DRD2 (0.36) DRD2DRD3PDK1NPC1RAB9A

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-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — 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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 — — US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 — — US disclosed
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 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
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

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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S DRD2 214/4885DRD3 226/4885PDK1 1414/4885
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 DRD2 962/4885DRD3 741/4885PDK1 1005/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 DRD2 1376/4885DRD3 1671/4885PDK1 317/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R DRD2 352/4885DRD3 318/4885PDK1 846/4885

“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.