SCHEMBL2097983

SCHEMBL2097983

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 3/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
KCNA3 P22001 1/20 0.42
CTSK P43235 2/20 0.41
KDM1A O60341 3/20 0.41
GRM5 P41594 3/20 0.41
F2R P25116 1/20 0.40
RET P07949 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL2097985 1.00 KDM4D (0.46) KDM4DKMT2AL3MBTL1DRD2GPR119
SCHEMBL2612632 0.81 KMT2A (0.45) KDM4DKMT2AL3MBTL1DRD2KDM1A
SCHEMBL20512703 0.81 KDM1A (0.55) KDM4DKMT2AL3MBTL1DRD2GPR119
SCHEMBL20512705 0.81 KDM1A (0.55) KDM4DKMT2AL3MBTL1DRD2GPR119
SCHEMBL2096601 0.80 KMT2A (0.66) KDM4DKMT2AL3MBTL1DRD2KCNA3
SCHEMBL2096599 0.80 KMT2A (0.66) KDM4DKMT2AL3MBTL1DRD2KCNA3
SCHEMBL20512881 0.80 KDM1A (0.69) KDM1A
SCHEMBL20512880 0.80 KDM1A (0.69) KDM1A
SCHEMBL2098129 0.78 KDM1A (0.42) KMT2AGPR119KDM1AGRM5
SCHEMBL2098131 0.78 KDM1A (0.42) KMT2AGPR119KDM1AGRM5

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 KDM4D 2195/4885KMT2A 2538/4885L3MBTL1 2364/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 KDM4D 2463/4885KMT2A 1907/4885L3MBTL1 2934/4885

“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.