SCHEMBL10277789

SCHEMBL10277789

CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2cccc(Br)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.57
TACR1 P25103 3/20 0.50
RORC P51449 3/20 0.49
USP30 Q70CQ3 2/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL10277792 1.00 PDE4B (0.57) PDE4BTACR1RORCUSP30PPARG
SCHEMBL10277788 1.00 PDE4B (0.57) PDE4BTACR1RORCUSP30PPARG
SCHEMBL10182023 0.90 TACR1 (0.52) PDE4BTACR1RORCUSP30
SCHEMBL10277512 0.89 PDE4B (0.68) PDE4BTACR1RORCUSP30SLC6A4
SCHEMBL326647 0.89 PDE4B (0.68) PDE4BTACR1RORCUSP30SLC6A4
SCHEMBL10069997 0.87 USP30 (0.50) PDE4BTACR1RORCUSP30
SCHEMBL23021431 0.86 RORC (0.62) PDE4BTACR1RORCUSP30
SCHEMBL1254775 0.86 RORC (0.62) PDE4BTACR1RORCUSP30
SCHEMBL2738527 0.86 RORC (0.62) PDE4BTACR1RORCUSP30
SCHEMBL1254778 0.86 RORC (0.62) PDE4BTACR1RORCUSP30

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 3 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
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

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 2419/4885RORC 1011/4885

“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.