SCHEMBL3595577

SCHEMBL3595577

CCOC(=O)C=Cc1ccc(C(=O)OCC)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CYP3A4 P08684 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAOB P27338 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL3595574 1.00 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL21816282 0.88 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL21816287 0.88 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL13474953 0.88 LMNA (0.50) CA12CA1CA2CA7CA9
SCHEMBL12777524 0.88 LMNA (0.50) CA12CA1CA2CA7CA9
SCHEMBL10505388 0.87 LMNA (0.53) CA12CA7CA9CA14MAPT
SCHEMBL10505396 0.87 LMNA (0.53) CA12CA7CA9CA14MAPT
SCHEMBL359688 0.81 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1160497 0.78 LMNA (0.55) CA12CA1CA2CA7CA9
SCHEMBL5098101 0.77 HPGD (0.49) CA12CA1CA2CA7CA9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN disclosed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
EP-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 US disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 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 (3 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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A CA12 2715/4885CA1 2018/4885CA2 231/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 CA12 3300/4885CA1 2549/4885CA2 440/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A CA12 2715/4885CA1 2018/4885CA2 231/4885

“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.