SCHEMBL2595519

SCHEMBL2595519

CCOC(=O)C1CCC(N(N)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.43
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 1/20 0.38
LGMN Q99538 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2595516 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRHSD11B1
SCHEMBL4367475 0.83 CHRM2 (0.34) HSD11B1NFKB1NFKB2RELAGAA
SCHEMBL6262075 0.80 BTK (0.39) KMT2ATSHRHSD11B1
SCHEMBL1296762 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL9964560 0.78 BTK (0.37) HSD11B1NFKB1NFKB2RELAGAA
SCHEMBL574102 0.76 BTK (0.36) HSD11B1NFKB1NFKB2RELAGAA
SCHEMBL6424027 0.76 PLG (0.38) NFKB1NFKB2RELA
SCHEMBL871258 0.75 GAA (0.37) ALDH1A1TSHRHSD11B1NFKB1NFKB2
SCHEMBL8891623 0.74 MAPT (0.60) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL2375356 0.74 MAPT (0.60) ALDH1A1MEN1KMT2AMAPTCYP3A4

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-10464905-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2019-11-05 US disclosed
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2019-01-03 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 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 (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-10464905-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK ALDH1A1 4454/4885MEN1 2243/4885KMT2A 688/4885
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ALDH1A1 4454/4885MEN1 2243/4885KMT2A 688/4885

“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.