SCHEMBL472468

SCHEMBL472468

Cc1ncoc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CASP3 P42574 2/20 0.42
KIF11 P52732 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.36
DRD3 P35462 7/20 0.35
DRD2 P14416 6/20 0.35
KCNH2 Q12809 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDE2A O00408 1/20 0.34
GAA P10253 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL472518 0.78 IMPDH2 (0.47) KIF11KMT2ADRD3DRD2KCNH2
SCHEMBL2625717 0.75 ADRA2A (0.34) KDM4E
SCHEMBL472459 0.75 ADRA2A (0.33) KDM4EL3MBTL1DRD3DRD2KCNH2
SCHEMBL811160 0.74 NPSR1 (0.53) KDM4ENPSR1CASP3KIF11L3MBTL1
SCHEMBL29595709 0.74 NPSR1 (0.53) KDM4ENPSR1CASP3KIF11L3MBTL1
SCHEMBL2288917 0.74 NPSR1 (0.45) KDM4ENPSR1CASP3KIF11L3MBTL1
SCHEMBL472461 0.72 ALOX5AP (0.38) DRD3DRD2KCNH2CYP1A2CHRM1
SCHEMBL472440 0.72 HSD11B1 (0.42) DRD3DRD2KCNH2CYP1A2CHRM1
SCHEMBL24689583 0.72 CCR1 (0.64) KDM4ENPSR1CASP3KIF11L3MBTL1
SCHEMBL7804557 0.71 IMPDH2 (0.33)

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 KDM4E 3900/4885NPSR1 50/4885CASP3 2715/4885

“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.