SCHEMBL29937192

SCHEMBL29937192

COCOC1CC2(C)CN(Cc3ccccc3)CC1(C)N2C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
GHSR Q92847 1/20 0.36
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL29937310 0.89 GAA (0.44) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL29937083 0.89 GAA (0.44) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL29344285 0.88 GAA (0.36) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL30998390 0.88 GAA (0.36) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL29937252 0.80 GAA (0.47) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL29937256 0.80 GAA (0.47) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL30998784 0.77 GAA (0.39) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL30998505 0.77 GAA (0.39) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL29344278 0.77 GAA (0.39) GAATSHRMEN1KMT2ACYP2D6
SCHEMBL30998438 0.70 GAA (0.40) GAATSHRMEN1KMT2ACYP2D6

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 3 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
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 GAA 1240/4885TSHR 4424/4885MEN1 538/4885

“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.