SCHEMBL1550169

SCHEMBL1550169

CC(C)(C)[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
HRH4 Q9H3N8 7/20 0.40
PYGL P06737 3/20 0.39
PYGM P11217 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
PDE10A Q9Y233 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
CYP51A1 Q16850 2/20 0.36

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
SCHEMBL1550827 0.94 PYGL (0.44) PYGLSMYD3CYP51A1
SCHEMBL1550512 0.93 DRD2 (0.42) HRH4PYGLPDE10ASMYD3CYP51A1
SCHEMBL1550154 0.92 HRH4 (0.38) ALOX15HRH4PDE10ASMYD3
SCHEMBL1549798 0.92 AR (0.42) HRH4HRH3PDE10ASMYD3CYP51A1
SCHEMBL1549669 0.89 HRH4 (0.38) HRH4HRH3PDE10ASMYD3CYP51A1
SCHEMBL1550411 0.89 ALOX15 (0.48) ALOX15HRH4PYGLPYGMSMYD3
SCHEMBL1549803 0.88 PYGL (0.38) HRH4PYGLPYGMPDE10ASMYD3
SCHEMBL1931365 0.88 ALOX15 (0.53) ALOX15HRH4PYGLPYGMHRH3
SCHEMBL1550577 0.88 TP53 (0.39) HRH4PYGLPYGMPDE10ASMYD3
SCHEMBL1550291 0.87 CYP51A1 (0.42) HRH4PYGLPYGMHRH3PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP claimed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US claimed
JP-2011529082-A 2011-12-01 JP claimed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US claimed
EP-2312947-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2011-04-27 EP claimed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO claimed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
EP-2312947-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2011-04-27 EP disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 ALOX15 971/4885HRH4 122/4885PYGL 3321/4885

“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.