SCHEMBL2096599

SCHEMBL2096599

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
DRD2 P14416 1/20 0.47
KDM4D Q6B0I6 1/20 0.46
MEN1 O00255 2/20 0.45
OPRK1 P41145 1/20 0.44
BRD4 O60885 1/20 0.44
RORC P51449 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL2096601 1.00 KMT2A (0.66) KMT2AL3MBTL1DRD2KDM4DMEN1
SCHEMBL29725634 0.84 KMT2A (0.72) KMT2AL3MBTL1MEN1OPRK1
SCHEMBL1851171 0.84 KMT2A (0.91) KMT2AL3MBTL1MEN1OPRK1
SCHEMBL2612633 0.82 KMT2A (0.66) KMT2AL3MBTL1MEN1OPRK1
SCHEMBL2330939 0.81 RORC (0.46) KMT2AL3MBTL1DRD2KDM4DMEN1
SCHEMBL2097985 0.80 KDM4D (0.46) KMT2AL3MBTL1DRD2KDM4DKCNA3
SCHEMBL2097983 0.80 KDM4D (0.46) KMT2AL3MBTL1DRD2KDM4DKCNA3
SCHEMBL4794886 0.79 L3MBTL1 (1.00) KMT2AL3MBTL1DRD2OPRK1
SCHEMBL20967988 0.79 L3MBTL1 (1.00) KMT2AL3MBTL1DRD2OPRK1
SCHEMBL29410965 0.79 L3MBTL1 (1.00) KMT2AL3MBTL1DRD2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 KMT2A 2538/4885L3MBTL1 2364/4885DRD2 1690/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 KMT2A 1907/4885L3MBTL1 2934/4885DRD2 1731/4885

“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.