SCHEMBL1550137

SCHEMBL1550137

Cc1ccc2cc(C(=O)N[C@H](C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)c3ccc(-c4ccccc4)cn3)C(C)(C)C)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.35
HTR2B P41595 1/20 0.35
RET P07949 4/20 0.34
KDR P35968 4/20 0.34
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
PDE10A Q9Y233 1/20 0.33
HTRA1 Q92743 1/20 0.33
ROCK2 O75116 1/20 0.33
PYGL P06737 1/20 0.33
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
MAP3K5 Q99683 1/20 0.33
CYP51A1 Q16850 1/20 0.33
NOD2 Q9HC29 1/20 0.33

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
SCHEMBL16474120 0.94 STAT6 (0.39) STAT6HTR2BPYGLCYP51A1
SCHEMBL1550608 0.93 AR (0.40) STAT6HTR2BRETKDRBACE1
SCHEMBL1550195 0.93 ALOX15 (0.42) STAT6PYGLCYP51A1
SCHEMBL1932624 0.93 GRIN2D (0.35) STAT6HTR2BRETKDRHTRA1
SCHEMBL19856859 0.93 CYP51A1 (0.40) STAT6HTR2BHTRA1PYGLCYP51A1
SCHEMBL1549976 0.93 CYP51A1 (0.40) STAT6HTR2BHTRA1PYGLCYP51A1
SCHEMBL1550050 0.93 CYP51A1 (0.40) STAT6HTR2BHTRA1PYGLCYP51A1
SCHEMBL1932171 0.92 PDE4B (0.34) STAT6RETKDRDHODHMAP3K5
SCHEMBL1549516 0.88 CYP51A1 (0.43) STAT6PYGLCYP51A1
SCHEMBL1550049 0.88 DRD2 (0.37) STAT6HTR2BHTRA1PYGLCYP51A1

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-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 STAT6 2179/4885HTR2B 114/4885RET 2220/4885

“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.