SCHEMBL2713962

SCHEMBL2713962

CC(C)(C)OC(=O)N[C@@H]1CCc2nc(N)sc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.64
SCN3A Q9NY46 5/20 0.56
SCN9A Q15858 4/20 0.55
DRD3 P35462 4/20 0.53
DRD2 P14416 3/20 0.53
HRH2 P25021 2/20 0.53
ADRA2A P08913 2/20 0.53
DRD4 P21917 2/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HRH4 Q9H3N8 1/20 0.53

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
SCHEMBL307243 1.00 SCN4A (0.64) SCN4ASCN3ASCN9ADRD3DRD2
SCHEMBL307244 1.00 SCN4A (0.64) SCN4ASCN3ASCN9ADRD3DRD2
SCHEMBL7939917 0.86 DRD3 (0.56) SCN4ASCN3ASCN9ADRD3DRD2
SCHEMBL29145448 0.86 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5A
SCHEMBL28912415 0.86 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5A
SCHEMBL15738520 0.86 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5A
SCHEMBL28912414 0.86 SCN4A (0.49) SCN4ASCN3ASCN9ASCN5A
SCHEMBL14146257 0.85 SCN4A (0.48) SCN4ASCN3ASCN9ASCN5A
SCHEMBL21552301 0.84 NPC1 (0.49) SCN4A
SCHEMBL28912404 0.84 SCN4A (0.48) SCN4ASCN3ASCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574191-B Isoxazole heterocyclic compound and application thereof 南京圣和药业股份有限公司 2024-01-23 CN disclosed
CN-112574191-A Isoxazole heterocyclic compound and application thereof 南京圣和药业股份有限公司 2021-03-30 CN disclosed
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 EP disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 EP disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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 (1 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-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA SCN4A 4051/4885SCN3A 3302/4885SCN9A 3481/4885

“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.