SCHEMBL3834657

SCHEMBL3834657

CC(C)(C)OC(=O)CC1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
OPRL1 P41146 5/20 0.45
CYP3A4 P08684 8/20 0.44
CYP2D6 P10635 6/20 0.44
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL21640024 0.81 CYP3A4 (0.44) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL4578709 0.80 CYP3A4 (0.49) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL4148742 0.75 KMT2A (0.59) KMT2AMEN1ALDH1A1
SCHEMBL17726230 0.75 KMT2A (0.45) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3315239 0.74 CYP3A4 (0.47) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL69083 0.74 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL7391113 0.73 CYP3A4 (0.44) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL30713496 0.73 CYP3A4 (0.40) OPRD1CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL27827700 0.73 CYP3A4 (0.43) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL14684169 0.73 CYP3A4 (0.44) OPRM1OPRD1OPRK1OPRL1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 CN disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 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-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 OPRM1 2870/4885OPRD1 3188/4885OPRK1 1385/4885

“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.