SCHEMBL29344003

SCHEMBL29344003

COC1CC2CNCC1N2C(C)(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2B6 P20813 1/20 0.34
SSTR4 P31391 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31

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
SCHEMBL29344015 0.82 CYP2B6 (0.35) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL29343999 0.82 SSTR4 (0.36) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL31245736 0.82 CYP2B6 (0.35) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL29937033 0.82 SSTR4 (0.36) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL29344004 0.78 OPRK1 (0.35) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL29344018 0.76 SSTR4 (0.40) OPRK1KCNH2CYP2B6SSTR4CHRM2
SCHEMBL29345819 0.76 CHRM2 (0.34) OPRK1KCNH2CYP2B6CHRM2CHRM1
SCHEMBL29936884 0.73 SSTR4 (0.40) OPRK1KCNH2CYP2B6SSTR4
SCHEMBL29344002 0.72 RORC (0.43)
SCHEMBL25329264 0.69 CYP2B6 (0.42) OPRK1KCNH2CYP2B6SSTR4

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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 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 (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 OPRK1 4635/4885KCNH2 3893/4885CYP2B6 4108/4885

“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.