SCHEMBL1549976

SCHEMBL1549976

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@H]2C[C@@H]1CN2C(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2B P41595 1/20 0.38
STAT6 P42226 1/20 0.38
HTRA1 Q92743 2/20 0.38
PYGL P06737 2/20 0.37
CCKBR P32239 4/20 0.37
KDM5A P29375 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
HRH4 Q9H3N8 1/20 0.35
AKR1C3 P42330 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
SCHEMBL1550050 1.00 CYP51A1 (0.40) CYP51A1DRD2HTR2BSTAT6HTRA1
SCHEMBL19856859 1.00 CYP51A1 (0.40) CYP51A1DRD2HTR2BSTAT6HTRA1
SCHEMBL1550049 0.95 DRD2 (0.37) CYP51A1DRD2HTR2BSTAT6HTRA1
SCHEMBL12552765 0.95 DRD2 (0.37) CYP51A1DRD2STAT6HTRA1KDM5A
SCHEMBL1550086 0.94 HTRA1 (0.38) CYP51A1DRD2HTR2BSTAT6HTRA1
SCHEMBL1550758 0.94 NAMPT (0.40) CYP51A1DRD2STAT6HTRA1KDM5A
SCHEMBL1550068 0.93 STAT6 (0.39) CYP51A1DRD2STAT6HTRA1PYGL
SCHEMBL7934666 0.93 DRD2 (0.40) DRD2HTRA1
SCHEMBL1930930 0.93 VHL (0.37) CYP51A1DRD2STAT6HTRA1KDM5A
SCHEMBL1550222 0.93 VHL (0.37) CYP51A1DRD2STAT6HTRA1KDM5A

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 15 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
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 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 CYP51A1 2877/4885DRD2 928/4885HTR2B 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.