SCHEMBL1550160

SCHEMBL1550160

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.45
CYP51A1 Q16850 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
PYGL P06737 3/20 0.43
DRD2 P14416 1/20 0.42
PLD1 Q13393 2/20 0.42
STAT6 P42226 1/20 0.41
MLLT1 Q03111 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PYGM P11217 1/20 0.41
PLD2 O14939 1/20 0.41
FPR2 P25090 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1549459 0.95 AR (0.45) FLT3CYP51A1SMYD3PYGLDRD2
SCHEMBL1931683 0.93 DRD2 (0.47) CYP51A1PYGLDRD2STAT6HRH4
SCHEMBL1931738 0.93 DRD2 (0.47) CYP51A1PYGLDRD2STAT6HRH4
SCHEMBL1931303 0.93 DRD2 (0.47) CYP51A1PYGLDRD2STAT6HRH4
SCHEMBL1549547 0.91 PDGFRB (0.46) CYP51A1PYGLDRD2STAT6HRH4
SCHEMBL1550025 0.91 PYGL (0.48) CYP51A1SMYD3PYGLDRD2HRH4
SCHEMBL2640155 0.89 STAT6 (0.43) CYP51A1PYGLDRD2STAT6HRH4
SCHEMBL1550291 0.89 CYP51A1 (0.42) FLT3CYP51A1SMYD3PYGLPLD1
SCHEMBL1550637 0.88 PDGFRB (0.48) FLT3PYGLSTAT6HRH4PYGM
SCHEMBL1931701 0.88 HRH4 (0.46) CYP51A1DRD2STAT6HRH4

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 10 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

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 FLT3 3525/4885CYP51A1 2877/4885SMYD3 3860/4885

“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.