SCHEMBL1549935

SCHEMBL1549935

Cc1cccc2cc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.45
NSD2 O96028 3/20 0.42
SETD2 Q9BYW2 2/20 0.42
DRD2 P14416 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
STAT6 P42226 1/20 0.40
CYP51A1 Q16850 1/20 0.38
AKR1C3 P42330 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL1931738 0.92 DRD2 (0.47) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1931683 0.92 DRD2 (0.47) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1931303 0.92 DRD2 (0.47) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1550559 0.92 DRD2 (0.43) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1931701 0.91 HRH4 (0.46) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1550436 0.90 HRH4 (0.43) HRH4DRD2STAT6AKR1C3
SCHEMBL1549547 0.88 PDGFRB (0.46) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1549906 0.88 DRD2 (0.42) HRH4DRD2STAT6CYP51A1AKR1C3
SCHEMBL1550196 0.88 NSD2 (0.41) HRH4NSD2SETD2SMYD3STAT6
SCHEMBL1550025 0.86 PYGL (0.48) HRH4DRD2SMYD3CYP51A1

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 122/4885NSD2 4485/4885SETD2 4778/4885

“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.