SCHEMBL1550105

SCHEMBL1550105

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 1/20 0.38
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
AVPR1A P37288 2/20 0.37
TSHR P16473 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
HTRA1 Q92743 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL19856964 1.00 GRM1 (0.40) GRM1STAT6CYP51A1DRD2ALDH1A1
SCHEMBL19856967 0.86 CCKBR (0.44) STAT6CYP51A1DRD2HTRA1KDM4E
SCHEMBL19856968 0.86 CCKBR (0.44) STAT6CYP51A1DRD2HTRA1KDM4E
SCHEMBL7942248 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856885 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856900 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856886 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL19856884 0.84 DRD2 (0.42) STAT6CYP51A1DRD2ALDH1A1HTRA1
SCHEMBL1550055 0.81 HRH4 (0.45) STAT6CYP51A1DRD2HSPA5HSPA8
SCHEMBL1931303 0.80 DRD2 (0.47) STAT6CYP51A1DRD2ALDH1A1KDM4E

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 14 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
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 GRM1 671/4885STAT6 2179/4885CYP51A1 2877/4885

“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.