SCHEMBL472447

SCHEMBL472447

COC(OC)c1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
NPSR1 Q6W5P4 4/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
XBP1 P17861 1/20 0.35
ALOX5 P09917 1/20 0.35
KIF11 P52732 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOB P27338 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL472575 0.82 CASP3 (0.39) TRPV1NPSR1KDM4ECASP3ALOX5
SCHEMBL472556 0.76 MAPT (0.41) TRPV1CASP3ALOX5KIF11MEN1
SCHEMBL472515 0.74 GSK3B (0.40) TRPV1NPSR1KDM4ERAB9ACASP3
SCHEMBL11755633 0.74 MEN1 (0.44) TRPV1CASP3ALOX5KIF11MEN1
SCHEMBL27244036 0.73 MEN1 (0.43) TRPV1NPSR1KDM4ECASP3NPC1
SCHEMBL472477 0.72 HEXA (0.50) TRPV1KDM4ERAB9ACASP3NPC1
SCHEMBL11756970 0.71 STAT3 (0.44) NPSR1KDM4ECASP3XBP1ALOX5
SCHEMBL11752616 0.71 STAT3 (0.44) NPSR1KDM4ECASP3XBP1ALOX5
SCHEMBL472695 0.70 CASP3 (0.38) TRPV1CASP3ALOX5KIF11MEN1
SCHEMBL11749503 0.70 MEN1 (0.54) KIF11MEN1KMT2A

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 7 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
CN-101835762-A 2-aminooxazole derivatives as TRPV antagonists useful for the treatment of pain ABBOTT LAB 2010-09-15 CN 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 TRPV1 1/4885NPSR1 50/4885KDM4E 3900/4885

“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.