SCHEMBL29344018

SCHEMBL29344018

CC(C)(c1ccccc1)N1C2CNCC1C1CC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.40
CYP2B6 P20813 1/20 0.40
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
BPTF Q12830 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
CHRM3 P20309 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL29936884 0.83 SSTR4 (0.40) SSTR4CYP2B6OPRK1KCNH2BPTF
SCHEMBL29937033 0.77 SSTR4 (0.36) SSTR4CYP2B6OPRK1KCNH2CHRM3
SCHEMBL29344015 0.77 CYP2B6 (0.35) SSTR4CYP2B6OPRK1KCNH2HTR2C
SCHEMBL29343999 0.77 SSTR4 (0.36) SSTR4CYP2B6OPRK1KCNH2CHRM3
SCHEMBL29344003 0.76 OPRK1 (0.34) SSTR4CYP2B6OPRK1KCNH2CHRM3
SCHEMBL25329264 0.76 CYP2B6 (0.42) SSTR4CYP2B6OPRK1KCNH2BPTF
SCHEMBL29343998 0.76 CYP2B6 (0.42) SSTR4CYP2B6OPRK1KCNH2BPTF
SCHEMBL26981379 0.75 OPRK1 (0.38) SSTR4CYP2B6OPRK1KCNH2CHRM3
SCHEMBL29344004 0.74 OPRK1 (0.35) SSTR4CYP2B6OPRK1KCNH2CHRM3
SCHEMBL29345819 0.71 CHRM2 (0.34) CYP2B6OPRK1KCNH2CHRM3CHRM2

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-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

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 SSTR4 4126/4885CYP2B6 4108/4885OPRK1 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.