SCHEMBL322073

SCHEMBL322073

CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.52
ROCK2 O75116 1/20 0.51
USP30 Q70CQ3 1/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
KMO O15229 1/20 0.47
UCHL1 P09936 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HCRTR2 O43614 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL321319 1.00 RIPK1 (0.52) RIPK1ROCK2USP30NR1H2NR1H3
SCHEMBL8214939 0.88 ROCK2 (0.53) RIPK1ROCK2USP30NR1H2NR1H3
SCHEMBL321027 0.88 ROCK2 (0.53) RIPK1ROCK2USP30NR1H2NR1H3
SCHEMBL28089302 0.86 PARP14 (0.53) RIPK1NR1H2NR1H3UCHL1ALDH1A1
SCHEMBL6960066 0.86 RIPK1 (0.69) RIPK1NR1H2NR1H3NPC1LMNA
SCHEMBL18642714 0.86 RIPK1 (0.69) RIPK1NR1H2NR1H3NPC1LMNA
SCHEMBL878861 0.85 NPSR1 (0.56) RIPK1ROCK2NR1H2NR1H3UCHL1
SCHEMBL1655270 0.85 RIPK1 (0.53) RIPK1NR1H2NR1H3UCHL1NPSR1
SCHEMBL17538788 0.84 ROCK2 (0.55) RIPK1ROCK2USP30UCHL1NPSR1
SCHEMBL14494457 0.84 RIPK1 (0.47) RIPK1ROCK2UCHL1TSHRMEN1

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 9 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
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
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 RIPK1 942/4885ROCK2 2/4885USP30 3718/4885

“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.