SCHEMBL18650898

SCHEMBL18650898

CC(C)(C)OC(=O)N1CCC(n2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.45
▸ OPRM1 P35372 3/20 0.42
▸ OGFRL1 Q5TC84 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ GPR119 Q8TDV5 5/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PIK3R1 P27986 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL23617960 0.89 PKM (0.40) USP2PKM
SCHEMBL23618026 0.81 PTGS2 (0.41) —
SCHEMBL18650901 0.81 PTGS2 (0.46) OPRM1OGFRL1OPRD1OPRK1
SCHEMBL18650911 0.81 PIK3CA (0.39) OPRM1OGFRL1USP2PKMPIK3CA
SCHEMBL18667872 0.81 PIK3CA (0.39) OPRM1OGFRL1USP2PKMPIK3CA
SCHEMBL18668039 0.80 PTGS2 (0.40) MTOR
SCHEMBL23617944 0.79 PTGS2 (0.41) —
SCHEMBL18650909 0.78 PTGS2 (0.40) —
SCHEMBL9982687 0.78 OPRM1 (0.60) OPRM1OGFRL1OPRD1PKMGPR119
SCHEMBL18668092 0.78 PTGS2 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
WO-2017049068-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — 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-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 USP30 1561/4885OPRM1 4045/4885OGFRL1 2020/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 USP30 1561/4885OPRM1 4045/4885OGFRL1 2020/4885

“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.

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