SCHEMBL1550183

SCHEMBL1550183

COc1cccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RCE1 Q9Y256 1/20 0.48
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL1550436 0.92 HRH4 (0.43) FLT3KMT2AMEN1RCE1HRH4
SCHEMBL1931738 0.90 DRD2 (0.47) HRH4KDM4EDRD2AKR1C3
SCHEMBL1931683 0.90 DRD2 (0.47) HRH4KDM4EDRD2AKR1C3
SCHEMBL1931303 0.90 DRD2 (0.47) HRH4KDM4EDRD2AKR1C3
SCHEMBL1550559 0.90 DRD2 (0.43) FLT3HRH4DRD2AKR1C3
SCHEMBL1549629 0.89 HRH4 (0.41) FLT3HRH4DRD4DRD3HTR1A
SCHEMBL1931316 0.89 ALB (0.43) FLT3HRH4DRD2AKR1C3
SCHEMBL1550637 0.87 PDGFRB (0.48) FLT3KMT2AMEN1RAB9ANPC1
SCHEMBL1549612 0.87 PDGFRB (0.48) FLT3KMT2AMEN1RAB9ANPC1
SCHEMBL1549459 0.85 AR (0.45) FLT3HRH4DRD2AKR1C3

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-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
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 FLT3 3525/4885KMT2A 3404/4885MEN1 3961/4885

“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.