SCHEMBL320746

SCHEMBL320746

COC(=O)C1CN(Cc2ccccc2)CC1c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.55
F10 P00742 6/20 0.53
PRSS1 P07477 4/20 0.53
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
SIGMAR1 Q99720 1/20 0.46
SLC6A2 P23975 2/20 0.46
KMT2A Q03164 1/20 0.45
FAAH O00519 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
SCHEMBL10277774 1.00 RORC (0.55) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL10277776 1.00 RORC (0.55) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL3080127 0.90 SIGMAR1 (0.51) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL7888069 0.88 RORC (0.57) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL14498495 0.88 RORC (0.57) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL5110560 0.88 RORC (0.57) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL4661703 0.88 RORC (0.57) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL4661705 0.88 RORC (0.57) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL23417389 0.88 F10 (0.54) RORCF10PRSS1SLC6A4SLC6A3
SCHEMBL21413473 0.88 F10 (0.54) RORCF10PRSS1SLC6A4SLC6A3

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 5 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
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA RORC 1011/4885F10 1344/4885PRSS1 1076/4885

“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.