SCHEMBL472449

SCHEMBL472449

Cc1ncoc1-c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ALOX5 P09917 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
IMPDH2 P12268 2/20 0.35
IMPDH1 P20839 1/20 0.35
NMT1 P30419 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
DGAT1 O75907 1/20 0.32
MAPK14 Q16539 4/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.31

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
SCHEMBL13393503 0.83 IMPDH2 (0.38) IMPDH2IMPDH1CDK2GSK3BMAPK14
SCHEMBL31306329 0.81 KIT (0.38) ALOX5APFEN1IMPDH2IMPDH1CDK2
SCHEMBL472440 0.78 HSD11B1 (0.42) ALOX5APFEN1DRD2DRD3KCNH2
SCHEMBL13380090 0.78 LMNA (0.40) IMPDH2IMPDH1MAPK14DRD3
SCHEMBL31306324 0.77 ALOX5AP (0.38) NMUR2ALOX5APFEN1ALOX5NPC1
SCHEMBL9955370 0.76 NOTUM (0.44) NPC1RAB9AMAPK14ADRA1DADRA1A
SCHEMBL472478 0.72 NMUR2 (0.40) NMUR2ALOX5APFEN1ALOX5NPC1
SCHEMBL472419 0.72 IMPDH2 (0.47) NPC1RAB9AIMPDH2IMPDH1GSK3B
SCHEMBL472364 0.71 IMPDH2 (0.39) IMPDH2IMPDH1CDK2GSK3BMAPK14
SCHEMBL31310573 0.70 DGAT1 (0.46) NMUR2ALOX5APFEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 NMUR2 388/4885ALOX5AP 882/4885FEN1 4859/4885

“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.