SCHEMBL29344285

SCHEMBL29344285

COCOC1CC2(C)CN(Cc3ccccc3)CC1(C)N2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
ACHE P22303 1/20 0.34
ABCB1 P08183 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
STS P08842 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30998390 1.00 GAA (0.36) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998505 0.90 GAA (0.39) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL29344278 0.90 GAA (0.39) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998784 0.90 GAA (0.39) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL29937192 0.88 GAA (0.40) GAACYP2D6ALDH1A1KMT2ATSHR
SCHEMBL30998426 0.84 GAA (0.40) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998403 0.84 GAA (0.40) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998438 0.84 GAA (0.40) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998427 0.84 GAA (0.40) GAAOPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL30998391 0.84 GAA (0.40) GAAOPRD1OPRK1CYP2D6ALDH1A1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS GAA 1240/4885OPRD1 4465/4885OPRK1 4635/4885

“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.