SCHEMBL1504120

SCHEMBL1504120

O=C(O)N[C@@H]1COC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MTNR1A P48039 2/20 0.35
PDE5A O76074 1/20 0.31
GAA P10253 1/20 0.30
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL3861339 1.00 HTT (0.39) HTTMTNR1APDE5AGAAPDCD1
SCHEMBL64217 1.00 HTT (0.39) HTTMTNR1APDE5AGAAPDCD1
SCHEMBL1379501 0.82 MTNR1A (0.51) HTTMTNR1APDE5A
SCHEMBL1379498 0.82 MTNR1A (0.51) HTTMTNR1APDE5A
SCHEMBL17292437 0.80 LMNA (0.32) HTT
SCHEMBL17224233 0.80 LMNA (0.32) HTT
SCHEMBL15591379 0.78 NR1I2 (0.31) MTNR1A
SCHEMBL20464506 0.77 ALDH1A1 (0.39) HTTMTNR1AGAA
SCHEMBL15820269 0.76
SCHEMBL3307631 0.76 GAA (0.53) GAA

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 22 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-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP 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-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 US disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
EP-1340756-B1 NOVEL BETA-LACTAM COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-10 EP disclosed
US-7163936-B2 β-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-01-16 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040102433-A1 Novel beta-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-05-27 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
EP-1340756-A1 NOVEL BETA-LACTAM COMPOUNDS AND PROECSS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-09-03 EP disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO 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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 HTT 4092/4885MTNR1A 3810/4885PDE5A 710/4885
US-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT HTT 806/4885MTNR1A 118/4885PDE5A 1169/4885
US-20040102433-A1 Novel beta-lactam compounds and process for producing the same MRPL21, MCRS1, RPS4X HTT 3080/4885MTNR1A 1478/4885PDE5A 4081/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885MTNR1A 367/4885PDE5A 4107/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885MTNR1A 367/4885PDE5A 4107/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R HTT 2715/4885MTNR1A 640/4885PDE5A 4125/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 HTT 4092/4885MTNR1A 3810/4885PDE5A 710/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HTT 2126/4885MTNR1A 356/4885PDE5A 4318/4885

“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.