SCHEMBL1931082

SCHEMBL1931082

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 1/20 0.36
KDM5A P29375 1/20 0.36
HSPA5 P11021 1/20 0.36
HSPA8 P11142 1/20 0.36
HSPA9 P38646 1/20 0.36
HSPA2 P54652 1/20 0.36
XIAP P98170 1/20 0.36
BIRC3 Q13489 1/20 0.36
BIRC2 Q13490 1/20 0.36
EGFR P00533 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL12552719 1.00 DRD2 (0.41) DRD2PYGLPYGMTAS1R3TAS1R1
SCHEMBL1931296 1.00 DRD2 (0.41) DRD2PYGLPYGMTAS1R3TAS1R1
SCHEMBL7943772 0.86 STAT6 (0.43) DRD2PYGLPYGMSTAT6CYP51A1
SCHEMBL1931738 0.84 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1STAT6
SCHEMBL1931683 0.84 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1STAT6
SCHEMBL14964347 0.84 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1STAT6
SCHEMBL1931303 0.84 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1STAT6
SCHEMBL19856967 0.83 CCKBR (0.44) DRD2TAS1R3TAS1R1STAT6CYP51A1
SCHEMBL19856968 0.83 CCKBR (0.44) DRD2TAS1R3TAS1R1STAT6CYP51A1
SCHEMBL1929666 0.83 PARP1 (0.45) DRD2TAS1R3TAS1R1STAT6CYP51A1

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 5 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-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 DRD2 928/4885PYGL 3321/4885PYGM 3231/4885

“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.