SCHEMBL2476561

SCHEMBL2476561

O=C(Nc1ccncc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.70
GRIN2B Q13224 4/20 0.69
CYP2D6 P10635 3/20 0.69
CYP2C9 P11712 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
CYP3A4 P08684 2/20 0.57
POLB P06746 1/20 0.56
F10 P00742 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 1/20 0.54

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
SCHEMBL16568979 0.94 ENPP2 (0.63) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL11750711 0.92 ENPP2 (0.78) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL6535871 0.86 ENPP2 (0.62) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL2466458 0.85 ENPP2 (0.61) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL5347279 0.84 ENPP2 (0.68) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL1554384 0.84 GRIN2B (0.71) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL5355496 0.84 SMN1; SMN2 (0.59) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL5778340 0.83 CYP2D6 (0.52) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL13388216 0.82 ENPP2 (0.67) ENPP2GRIN2BCYP2D6CYP2C9SMN1; SMN2
SCHEMBL5348026 0.82 GRIN2B (1.00) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
EP-1459743-B9 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2012-08-01 EP disclosed
EP-1459742-B9 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2012-05-02 EP disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
EP-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed
EP-1174150-A1 PREVENTIVES/REMEDIES FOR ANGIOSTENOSIS Mitsubishi Pharma Corporation (JP) 2002-01-23 EP disclosed
EP-1163910-A1 PREVENTIVES/REMEDIES FOR INTERSTITIAL PNEUMONIA AND PULMONARY FIBROSIS Welfide Corporation (JP) 2001-12-19 EP disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1034793-A1 PREVENTIVES/REMEDIES FOR GLAUCOMA Senju Pharmaceutical Co., Ltd. (JP) 2000-09-13 EP disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 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 (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-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 ENPP2 2744/4885GRIN2B 4021/4885CYP2D6 4649/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA ENPP2 388/4885GRIN2B 2237/4885CYP2D6 4121/4885

“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.