SCHEMBL462011

SCHEMBL462011

COC(=O)c1cc(NCC(C)(C)O)c(N)c(-c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.44
SCN9A Q15858 1/20 0.44
PTGS1 P23219 2/20 0.41
GRM2 Q14416 3/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IKBKB O14920 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGS2 P35354 1/20 0.39
CFTR P13569 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CA P42336 1/20 0.38
PTPN7 P35236 1/20 0.38
PRKCZ Q05513 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL452451 0.78 KDM4E (0.52) PTGS1SLC6A4SLC6A3IKBKBMAPK14
SCHEMBL463126 0.77 NOTUM (0.40) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL452184 0.76 PTGS1 (0.49) PTGS1SLC6A4SLC6A3IKBKBMAPK14
SCHEMBL15436238 0.76 IKBKB (0.43) FPR2SCN9APTGS1SLC6A4SLC6A3
SCHEMBL462390 0.74 LNPEP (0.50) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL454241 0.71 VCAM1 (0.45) PTGS1SLC6A4SLC6A3IKBKBKDM4E
SCHEMBL453476 0.71 KDM4E (0.51) PTGS1SLC6A4SLC6A3IKBKBMAPK14
SCHEMBL21310995 0.71 GAA (0.57) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL6351226 0.70 ALDH1A1 (0.50) KDM4EALDH1A1MAPT
SCHEMBL451524 0.69 GRM2 (0.42) FPR2SCN9APTGS1GRM2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 FPR2 155/4885SCN9A 494/4885PTGS1 294/4885

“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.