SCHEMBL26584990

SCHEMBL26584990

CCc1ccc2nc(N)n([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.41
▸ OGFRL1 Q5TC84 3/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ CHEK2 O96017 2/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ FPR2 P25090 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL30528200 0.87 OPRM1 (0.38) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16895446 0.82 EGFR (0.45) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL14247494 0.80 USP30 (0.50) OPRM1OGFRL1OPRD1OPRK1PIK3CA
SCHEMBL16895619 0.79 EGFR (0.44) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16791153 0.79 EGFR (0.44) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16895807 0.79 CYP2C9 (0.44) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16901721 0.79 BTK (0.43) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16901720 0.79 BTK (0.43) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16895972 0.78 RPS6KB1 (0.49) OPRM1OGFRL1OPRD1OPRK1CHEK2
SCHEMBL16895971 0.78 RPS6KB1 (0.49) OPRM1OGFRL1OPRD1OPRK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — 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 (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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 OPRM1 2967/4885OGFRL1 328/4885OPRD1 4152/4885

“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.

Send feedback