SCHEMBL1550154

SCHEMBL1550154

Cc1ccc2cc(C(=O)N[C@H](C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)c3nc4ccccc4[nH]3)C(C)(C)C)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.38
SMYD3 Q9H7B4 1/20 0.38
PDE10A Q9Y233 8/20 0.38
STAT6 P42226 1/20 0.35
DRD2 P14416 1/20 0.35
MAP3K5 Q99683 1/20 0.34
ALOX15 P16050 1/20 0.34
HTRA1 Q92743 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
AHR P35869 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1550577 0.94 TP53 (0.39) HRH4SMYD3PDE10ASTAT6DRD2
SCHEMBL1550512 0.93 DRD2 (0.42) HRH4SMYD3PDE10ASTAT6DRD2
SCHEMBL1550169 0.92 ALOX15 (0.44) HRH4SMYD3PDE10AALOX15
SCHEMBL1549798 0.92 AR (0.42) HRH4SMYD3PDE10ASTAT6DRD2
SCHEMBL1549669 0.89 HRH4 (0.38) HRH4SMYD3PDE10ASTAT6DRD2
SCHEMBL1549906 0.89 DRD2 (0.42) HRH4STAT6DRD2ALOX15CNR2
SCHEMBL1550076 0.88 HRH4 (0.38) HRH4SMYD3PDE10ASTAT6CNR2
SCHEMBL1550827 0.88 PYGL (0.44) SMYD3STAT6
SCHEMBL1550291 0.87 CYP51A1 (0.42) HRH4SMYD3PDE10ASTAT6
SCHEMBL1550196 0.87 NSD2 (0.41) HRH4SMYD3PDE10ASTAT6

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 16 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
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-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
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 HRH4 122/4885SMYD3 3860/4885PDE10A 2003/4885

“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.