SCHEMBL1930657

SCHEMBL1930657

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccc(C(N)=O)cn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 2/20 0.36
SCN3A Q9NY46 2/20 0.35
SCN4A P35499 1/20 0.35
DRD2 P14416 1/20 0.35
ELANE P08246 2/20 0.34
STAT6 P42226 1/20 0.34
KDM5A P29375 1/20 0.33
CYP51A1 Q16850 1/20 0.33
HSPA5 P11021 1/20 0.33
HSPA8 P11142 1/20 0.33
HSPA9 P38646 1/20 0.33
HSPA2 P54652 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
AKR1C3 P42330 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
EGFR P00533 1/20 0.32
PIK3CA P42336 1/20 0.32
HDAC1 Q13547 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
SCHEMBL7947251 1.00 HTRA1 (0.36) HTRA1SCN3ASCN4ADRD2ELANE
SCHEMBL19856956 1.00 HTRA1 (0.36) HTRA1SCN3ASCN4ADRD2ELANE
SCHEMBL19856958 0.94 STAT6 (0.35) HTRA1SCN3ASCN4ADRD2STAT6
SCHEMBL19856962 0.94 STAT6 (0.35) HTRA1SCN3ASCN4ADRD2STAT6
SCHEMBL7945339 0.92 STAT6 (0.35) HTRA1SCN3ASCN4ADRD2ELANE
SCHEMBL19856880 0.92 STAT6 (0.35) HTRA1SCN3ASCN4ADRD2ELANE
SCHEMBL1931566 0.92 STAT6 (0.35) HTRA1SCN3ASCN4ADRD2ELANE
SCHEMBL7933956 0.92 SCN3A (0.37) HTRA1SCN3ASCN4ADRD2STAT6
SCHEMBL7942793 0.92 SCN3A (0.37) HTRA1SCN3ASCN4ADRD2STAT6
SCHEMBL1930659 0.90 HTRA1 (0.35) HTRA1SCN3ASCN4ADRD2ELANE

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 HTRA1 1714/4885SCN3A 411/4885SCN4A 53/4885

“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.