SCHEMBL1549900

SCHEMBL1549900

CC[C@H](C)[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.39
HSPA8 P11142 1/20 0.39
HSPA2 P54652 1/20 0.39
SMYD3 Q9H7B4 1/20 0.37
XIAP P98170 2/20 0.37
PDE10A Q9Y233 5/20 0.36
ALB P02768 1/20 0.35
IL2 P60568 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL1549842 0.93 HRH4 (0.41) HRH4HSPA8HSPA2SMYD3PDE10A
SCHEMBL1550091 0.90 HSPA8 (0.47) HRH4HSPA8HSPA2SMYD3PDE10A
SCHEMBL1550108 0.88 TAS1R3 (0.42) HRH4SMYD3PDE10AALBIL2
SCHEMBL1550623 0.88 SMYD3 (0.43) HSPA8HSPA2SMYD3PDE10ADRD2
SCHEMBL1550586 0.86 HRH4 (0.41) HRH4SMYD3PDE10AALBIL2
SCHEMBL1549474 0.85 ALB (0.46) ALBIL2
SCHEMBL7945487 0.85 ALB (0.46) ALBIL2
SCHEMBL1549761 0.82 HSPA8 (0.45) HRH4HSPA8HSPA2SMYD3PDE10A
SCHEMBL1550192 0.80 TAS1R3 (0.40) HRH4SMYD3PDE10A
SCHEMBL16456989 0.80 SMYD3 (0.44) HRH4HSPA8HSPA2SMYD3PDE10A

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 12 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
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 HRH4 122/4885HSPA8 1419/4885HSPA2 949/4885

“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.