SCHEMBL1446897

SCHEMBL1446897

CN(C)C(=O)Oc1cccc(NC(=O)C2(COCc3ccccc3)CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 12/20 0.48
LIMK1 P53667 7/20 0.45
ROCK1 Q13464 3/20 0.45
ROCK2 O75116 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
F10 P00742 1/20 0.43
TACR1 P25103 2/20 0.42
ACHE P22303 2/20 0.41

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
SCHEMBL28784009 0.90 TACR1 (0.44) LIMK2TACR1
SCHEMBL1446861 0.89 LIMK2 (0.47) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1447058 0.87 LIMK2 (0.51) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446510 0.86 LIMK2 (0.43) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1447063 0.86 LIMK2 (0.52) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446544 0.85 F10 (0.44) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL4303404 0.84 TACR1 (0.48) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1447618 0.82 LIMK2 (0.60) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL1446649 0.81 LIMK2 (0.57) LIMK2LIMK1ROCK1ROCK2PRKACA
SCHEMBL4297068 0.78 LIMK2 (0.81) LIMK2LIMK1ROCK1ROCK2PRKACA

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-2297153-B1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-05-27 EP disclosed
EP-2674433-A1 LIMK2 inhibitors, compositions comprising them and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 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 (2 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885LIMK1 2/4885ROCK1 308/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885LIMK1 2/4885ROCK1 308/4885

“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.