SCHEMBL1550192

SCHEMBL1550192

CC(C)C[C@H](NC(=O)c1cc2cc(F)cc(F)c2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
PDE10A Q9Y233 5/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CYP51A1 Q16850 1/20 0.36
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
F2R P25116 1/20 0.35
HTRA1 Q92743 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
SCHEMBL1550108 0.93 TAS1R3 (0.42) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1550269 0.91 TAS1R3 (0.39) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1550350 0.90 CYP51A1 (0.46) TAS1R3TAS1R1SMYD3CYP51A1F2R
SCHEMBL1549796 0.90 TAS1R3 (0.43) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1549475 0.89 TAS1R3 (0.52) TAS1R3TAS1R1HRH4CYP51A1CTSS
SCHEMBL1550136 0.87 TAS1R3 (0.42) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1549856 0.87 ALB (0.43) TAS1R3TAS1R1
SCHEMBL7940976 0.87 TAS1R3 (0.42) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1549435 0.87 PDE10A (0.37) HRH4PDE10ASMYD3
SCHEMBL1550379 0.85 TAS1R3 (0.43) TAS1R3TAS1R1HRH4PDE10ASMYD3

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 14 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-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 TAS1R3 751/4885TAS1R1 984/4885HRH4 122/4885

“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.