SCHEMBL472855

SCHEMBL472855

CCc1ncoc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
LIMK2 P53671 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TP53 P04637 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
TARBP2 Q15633 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
SCHEMBL15947016 0.82 MAPK14 (0.50) MAPK14MAPTKDM4E
SCHEMBL14391718 0.81 ADORA2A (0.46) LIMK2SMN1; SMN2NPC1RAB9AMAPK14
SCHEMBL472380 0.78 HEXA (0.46) NPC1RAB9AMAPK14KDM4ELMNA
SCHEMBL472431 0.78 MAPK14 (0.33) GAALIMK2MAPK14FFAR4
SCHEMBL472387 0.78 GBA1 (0.38) GAASMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL472419 0.76 IMPDH2 (0.47) GAASMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL27808001 0.72 FFAR4 (0.35) GAALIMK2FFAR4
SCHEMBL15026758 0.71 CYP2A6 (0.44) SMN1; SMN2NPC1MAPK1RAB9ANFKB1
SCHEMBL3125530 0.69 TARBP2 (0.56) GAASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL15026748 0.69 CYP2A6 (0.37) MAPK14

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 GAA 3675/4885LIMK2 2243/4885SMN1; SMN2 2299/4885

“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.