SCHEMBL1931089

SCHEMBL1931089

Cc1cccc2[nH]c(C(=O)N[C@H](C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)c3ccc(-c4ccccc4)cn3)C(C)(C)C)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
CTSA P10619 1/20 0.35
HTR2B P41595 1/20 0.35
TNKS O95271 1/20 0.34
ELANE P08246 4/20 0.33
STAT6 P42226 1/20 0.33
VHL P40337 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RCE1 Q9Y256 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
DGAT1 O75907 2/20 0.32
SLC6A7 Q99884 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL1931052 0.93 HTR2B (0.35) BRD4HTR2BTNKSELANESTAT6
SCHEMBL1931690 0.92 PDE4B (0.34) TNKSVHL
SCHEMBL19856859 0.89 CYP51A1 (0.40) HTR2BSTAT6DRD2
SCHEMBL1550050 0.89 CYP51A1 (0.40) HTR2BSTAT6DRD2
SCHEMBL1549976 0.89 CYP51A1 (0.40) HTR2BSTAT6DRD2
SCHEMBL1550137 0.87 STAT6 (0.35) HTR2BSTAT6
SCHEMBL16474120 0.87 STAT6 (0.39) HTR2BSTAT6
SCHEMBL1550604 0.86 DRD2 (0.37) STAT6DRD2
SCHEMBL1932624 0.85 GRIN2D (0.35) HTR2BSTAT6
SCHEMBL1550608 0.85 AR (0.40) HTR2BSTAT6DGAT1

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 7 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
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US 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 BRD4 522/4885CTSA 2696/4885HTR2B 114/4885

“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.