SCHEMBL26005496

SCHEMBL26005496

CC(C)c1ccn(CC2CC2)c(=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.45
GRIN2A Q12879 1/20 0.45
PI4KA P42356 5/20 0.42
PI4KB Q9UBF8 5/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
GRM2 Q14416 7/20 0.41
MAPT P10636 1/20 0.41
PIP5K1C O60331 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL26007758 0.87 GRIA2 (0.38) GRIA2GRIN2API4KAPI4KBPIK3CG
SCHEMBL26006408 0.78 GRIA2 (0.48) GRIA2GRIN2API4KAPI4KBPIK3CG
SCHEMBL14501877 0.78 ACACB (0.40) PI4KAPI4KBPIK3CGPIK3CDPIK3CA
SCHEMBL22214031 0.76 PTGS2 (0.38) MAPT
SCHEMBL21350503 0.75 MAPT (0.48) MAPTOPRM1OPRK1OPRL1
SCHEMBL1035189 0.75 PI4KA (0.45) GRIA2GRIN2API4KAPI4KBPIK3CG
SCHEMBL1039375 0.75 PI4KA (0.45) GRIA2GRIN2API4KAPI4KBPIK3CG
SCHEMBL22971667 0.73 IDH1 (0.35) MAPT
SCHEMBL12546246 0.73 MAPT (0.40) MAPTOPRM1OPRK1OPRL1
SCHEMBL1346577 0.72 GRIA2 (0.43) GRIA2GRIN2API4KAPI4KBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 GRIA2 413/4885GRIN2A 1479/4885PI4KA 314/4885

“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.