SCHEMBL77785

SCHEMBL77785

Nc1ccc(N2CCCCC2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
PARP1 P09874 3/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PIM1 P11309 3/20 0.40
GRM5 P41594 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
MTOR P42345 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
ALDH1A1 P00352 2/20 0.36
AKR1C3 P42330 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL14910345 0.95 CNR2 (0.53) CNR2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL14408313 0.83 PARP1 (0.54) CNR2PARP1PIM1KLKB1KLK1
SCHEMBL29348993 0.82 CNR2 (0.48) CNR2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL25668035 0.82 CNR2 (0.48) CNR2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL15491939 0.81 CNR2 (0.47) CNR2PARP1GRM5
SCHEMBL3465649 0.80 PARP1 (0.57) CNR2PARP1PIM1KLKB1KLK1
SCHEMBL3833668 0.77 MAPT (0.64) CNR2PARP1ALDH1A1HPGD
SCHEMBL469807 0.77 CNR2 (0.52) CNR2PARP1PIM1ALDH1A1AKR1C3
SCHEMBL46340 0.77 CNR2 (0.52) CNR2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL38010 0.77 CNR2 (0.52) CNR2PARP1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
CN-111909168-B Nitrogenous heterocyclic group substituted pyrimidinediones and uses thereof 广东东阳光药业有限公司 2022-02-01 CN disclosed
CN-111909168-A Nitrogenous heterocyclic group substituted pyrimidinediones and uses thereof 广东东阳光药业有限公司 2020-11-10 CN disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (2 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-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 CNR2 3414/4885PARP1 895/4885GRIN2D 4769/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 CNR2 848/4885PARP1 477/4885GRIN2D 4802/4885

“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.