SCHEMBL29344015

SCHEMBL29344015

CC(C)(c1ccccc1)N1C2CNCC1C(F)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.35
SSTR4 P31391 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2C P28335 6/20 0.33
HTR2A P28223 5/20 0.33
HTR2B P41595 5/20 0.33
CHRM3 P20309 3/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL31245736 1.00 CYP2B6 (0.35) CYP2B6SSTR4OPRK1KCNH2HTR2C
SCHEMBL29937033 0.83 SSTR4 (0.36) CYP2B6SSTR4OPRK1KCNH2CHRM3
SCHEMBL29343999 0.83 SSTR4 (0.36) CYP2B6SSTR4OPRK1KCNH2CHRM3
SCHEMBL29344003 0.82 OPRK1 (0.34) CYP2B6SSTR4OPRK1KCNH2CHRM3
SCHEMBL29344004 0.80 OPRK1 (0.35) CYP2B6SSTR4OPRK1KCNH2CHRM3
SCHEMBL29344017 0.79 CYP2B6 (0.40) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29344018 0.77 SSTR4 (0.40) CYP2B6SSTR4OPRK1KCNH2HTR2C
SCHEMBL29345819 0.77 CHRM2 (0.34) CYP2B6OPRK1KCNH2CHRM3CHRM2
SCHEMBL29936884 0.74 SSTR4 (0.40) CYP2B6SSTR4OPRK1KCNH2HTR2C
SCHEMBL29937454 0.74 OPRK1 (0.38) 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 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 CYP2B6 4108/4885SSTR4 4126/4885OPRK1 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.