SCHEMBL472517

SCHEMBL472517

CC(=O)OC1COc2cccc(N=C(c3ccccc3)c3ccccc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.34
KIF11 P52732 1/20 0.33
MTNR1A P48039 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN9A Q15858 1/20 0.32
DRD2 P14416 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL472541 0.75 DRD2 (0.36) MTNR1ADRD2GABRA1GABRB2
SCHEMBL3939117 0.71 NPC1 (0.40) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL5583694 0.66 HTR1A (0.41) KMT2AKIF11MTNR1AMEN1
SCHEMBL29118131 0.64 DYRK1A (0.40) DRD2
SCHEMBL21810890 0.63 GAA (0.36) KMT2AGAANPC1RAB9AMEN1
SCHEMBL9239758 0.62 FABP7 (0.42)
SCHEMBL23222948 0.62 ALDH1A1 (0.54) KMT2ATSHRGAAMTNR1AMEN1
SCHEMBL3930074 0.61 POLB (0.46) KMT2AGAAMTNR1ASMN1; SMN2GABRA1
SCHEMBL3923944 0.61 POLB (0.46) KMT2AGAAMTNR1ASMN1; SMN2GABRA1
SCHEMBL12199520 0.61 SLC18A3 (0.43) KMT2ATSHRMEN1CYP2C19

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 KMT2A 4103/4885TSHR 828/4885GAA 3675/4885

“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.