SCHEMBL566549

SCHEMBL566549

CC(C)(C)OC(=O)n1cc2ccc(C#N)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
NR1H2 P55055 2/20 0.39
AR P10275 1/20 0.38
NCEH1 Q6PIU2 2/20 0.37
EGLN2 Q96KS0 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CCR9 P51686 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL17965623 0.79 ESR2 (0.46) NR1H2
SCHEMBL1394177 0.78 NR1H2 (0.47) NR1H2
SCHEMBL2143961 0.78 GABRG2 (0.41) GPR119NR1H2
SCHEMBL2144869 0.78 USP30 (0.40) NR1H2NCEH1
SCHEMBL566588 0.77 F2 (0.44) NCEH1CCR9
SCHEMBL23727831 0.77 CYP2A6 (0.42) GPR119
SCHEMBL20571011 0.77 HDAC1 (0.39) NR1H2
SCHEMBL5184141 0.76 BCHE (0.47) GPR119NR1H2
SCHEMBL31119448 0.76 GPR119 (0.41) GPR119AREGLN2
SCHEMBL4149156 0.75 GPR119 (0.40) GPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
EP-4149924-A1 CYP11A1 INHIBITORS Orion Corporation (FI) 2023-03-22 EP disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN disclosed
WO-2021229152-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2021-11-18 WO disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (4 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA GPR119 1425/4885NR1H2 724/4885AR 2337/4885
US-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 GPR119 461/4885NR1H2 75/4885AR 43/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA GPR119 1425/4885NR1H2 724/4885AR 2337/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 GPR119 43/4885NR1H2 99/4885AR 692/4885

“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.