SCHEMBL1549968

SCHEMBL1549968

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ncccc2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.35
DRD2 P14416 1/20 0.35
HSPA5 P11021 1/20 0.34
HSPA8 P11142 1/20 0.34
HSPA9 P38646 1/20 0.34
HSPA2 P54652 1/20 0.34
PYGL P06737 1/20 0.34
HTRA1 Q92743 2/20 0.34
STAT6 P42226 1/20 0.34
CYP51A1 Q16850 3/20 0.33
GHSR Q92847 1/20 0.33
KDM5A P29375 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
IDO1 P14902 1/20 0.33
HTR2C P28335 1/20 0.33
SCN4A P35499 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL1550720 0.92 TRPV1 (0.37) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL1550596 0.92 NTRK1 (0.39) NTRK1DRD2HSPA5HSPA8HSPA9
SCHEMBL1549551 0.92 GHSR (0.41) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL16457024 0.92 GHSR (0.41) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL19856902 0.91 HTR2C (0.37) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL1549343 0.91 HTR2C (0.37) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL1550494 0.90 DRD2 (0.38) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL16456898 0.90 DRD2 (0.38) DRD2HSPA5HSPA8HSPA9HSPA2
SCHEMBL1550985 0.89 NTRK1 (0.37) NTRK1DRD2HSPA5HSPA8HSPA9
SCHEMBL1550758 0.89 NAMPT (0.40) DRD2HSPA5HSPA8HSPA9HSPA2

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 NTRK1 1257/4885DRD2 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.