SCHEMBL29344017

SCHEMBL29344017

CC(C)(c1ccccc1)N1C2CCCC1C(F)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.40
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM3 P20309 7/20 0.35
CHRM2 P08172 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM4 P08173 1/20 0.33
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29344000 0.82 OPRK1 (0.41) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29344015 0.79 CYP2B6 (0.35) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29937454 0.76 OPRK1 (0.38) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29344016 0.72 RORC (0.49)
SCHEMBL29937033 0.65 SSTR4 (0.36) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29343999 0.65 SSTR4 (0.36) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29344003 0.64 OPRK1 (0.34) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29344018 0.64 SSTR4 (0.40) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL6620254 0.63 CHRM2 (0.46) CHRM3CHRM2CHRM1CHRM4MAPK1
SCHEMBL6620257 0.63 CHRM2 (0.46) CHRM3CHRM2CHRM1CHRM4MAPK1

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 CYP2B6 4108/4885OPRK1 4635/4885KCNH2 3893/4885

“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.