SCHEMBL29344004

SCHEMBL29344004

CC(C)(c1ccccc1)N1C2CNCC1C(C#N)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP2B6 P20813 1/20 0.33
SSTR4 P31391 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
DPP4 P27487 1/20 0.30
KCNA3 P22001 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
SCHEMBL29345819 0.81 CHRM2 (0.34) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29343999 0.80 SSTR4 (0.36) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29344015 0.80 CYP2B6 (0.35) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL31245736 0.80 CYP2B6 (0.35) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29937033 0.80 SSTR4 (0.36) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29344003 0.78 OPRK1 (0.34) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL26981396 0.75 OPRK1 (0.40) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29344018 0.74 SSTR4 (0.40) OPRK1KCNH2CHRM2CHRM1CHRM3
SCHEMBL29936884 0.71 SSTR4 (0.40) OPRK1KCNH2CYP2B6SSTR4
SCHEMBL24894678 0.71 JAK1 (0.45) OPRK1KCNH2JAK2JAK1

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 OPRK1 4635/4885KCNH2 3893/4885CHRM2 4856/4885

“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.