SCHEMBL472459

SCHEMBL472459

Cc1ncoc1-c1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLAU P00749 1/20 0.33
GBA1 P04062 1/20 0.33
CA2 P00918 1/20 0.33
IMPDH2 P12268 2/20 0.32
IMPDH1 P20839 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL2625717 0.79 ADRA2A (0.34) ADRA2AADRA2BADRA2CCCR1CCR5
SCHEMBL472387 0.78 GBA1 (0.38) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL472419 0.76 IMPDH2 (0.47) IMPDH2IMPDH1KDM4EALDH1A1NPC1
SCHEMBL7804557 0.75 IMPDH2 (0.33) ADRA2AADRA2BADRA2CCCR1CCR5
SCHEMBL472468 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL2625716 0.72 RAB9A (0.41) ADRA2AADRA2BADRA2CKDM4EALDH1A1
SCHEMBL28557877 0.71 ALDH1A1 (0.33) CCR1CCR5CCR8HDAC6GBA1
SCHEMBL472372 0.71 CA2 (0.33) CCR1CCR5CCR8HDAC6GBA1
SCHEMBL40864 0.71 KDM4E (0.46) ADRA2AADRA2BADRA2CCCR1CCR5
SCHEMBL8021753 0.71 IMPDH2 (0.39) IMPDH2IMPDH1ALDH1A1NPC1RAB9A

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 ADRA2A 196/4885ADRA2B 169/4885ADRA2C 244/4885

“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.