SCHEMBL1930850

SCHEMBL1930850

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.40
DRD2 P14416 1/20 0.40
HSPA5 P11021 1/20 0.39
HSPA8 P11142 1/20 0.39
HSPA9 P38646 1/20 0.39
HSPA2 P54652 1/20 0.39
HTRA1 Q92743 1/20 0.37
CYP51A1 Q16850 1/20 0.37
PIK3CD O00329 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
KDM5A P29375 1/20 0.36
IDO1 P14902 1/20 0.36
CNR2 P34972 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
AKR1C3 P42330 1/20 0.35
CCKAR P32238 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35

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 0.87 DRD2 (0.47) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL1931303 0.87 DRD2 (0.47) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL1931683 0.87 DRD2 (0.47) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL16474116 0.87 STAT6 (0.45) STAT6DRD2HSPA5HSPA8HSPA9
SCHEMBL1550389 0.85 DRD2 (0.41) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL19856894 0.85 DRD2 (0.45) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL19856892 0.85 DRD2 (0.45) STAT6DRD2CYP51A1HRH4CNR2
SCHEMBL1550315 0.85 DRD2 (0.41) STAT6DRD2HSPA5HSPA8HSPA9
SCHEMBL1932238 0.84 DRD2 (0.40) STAT6DRD2HSPA5HSPA8HSPA9
SCHEMBL1930560 0.84 DRD2 (0.41) STAT6DRD2HSPA5HSPA8HSPA9

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 9 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-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

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 2179/4885DRD2 928/4885HSPA5 1194/4885

“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.