SCHEMBL10277512

SCHEMBL10277512

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.68
TACR1 P25103 2/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
RORC P51449 3/20 0.45
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL326647 1.00 PDE4B (0.68) PDE4BTACR1SLC6A4SLC6A3PDE4A
SCHEMBL10277788 0.89 PDE4B (0.57) PDE4BTACR1SLC6A4SLC6A3RORC
SCHEMBL10277792 0.89 PDE4B (0.57) PDE4BTACR1SLC6A4SLC6A3RORC
SCHEMBL10277789 0.89 PDE4B (0.57) PDE4BTACR1SLC6A4SLC6A3RORC
SCHEMBL12652557 0.88 PDE4B (0.69) PDE4BTACR1SLC6A4SLC6A3PDE4A
SCHEMBL23951795 0.87 PDE4B (0.68) PDE4BTACR1PDE4APDE4CPDE4D
SCHEMBL25846829 0.86 PDE4B (0.70) PDE4BTACR1SLC6A4SLC6A3PDE4A
SCHEMBL21783705 0.86 PDE4B (0.69) PDE4BTACR1SLC6A4SLC6A3PDE4A
SCHEMBL21783709 0.86 PDE4B (0.69) PDE4BTACR1SLC6A4SLC6A3PDE4A
SCHEMBL23699327 0.86 PDE4B (0.69) PDE4BTACR1SLC6A4SLC6A3PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PDE4B 261/4885TACR1 2419/4885SLC6A4 4168/4885

“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.