SCHEMBL29936728

SCHEMBL29936728

CC(C)(C)OC(=O)N1C2CCC1(CO)CN(Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
STS P08842 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29344022 0.93 KMT2A (0.43) KMT2AL3MBTL1NPFFR1NPFFR2OPRD1
SCHEMBL30998665 0.92 KMT2A (0.42) KMT2AL3MBTL1NPFFR1NPFFR2OPRD1
SCHEMBL29936722 0.89 JAK1 (0.41) KMT2AL3MBTL1JAK2JAK1
SCHEMBL29344020 0.86 KMT2A (0.42) KMT2AL3MBTL1NPFFR1NPFFR2OPRD1
SCHEMBL29937484 0.86 KMT2A (0.42) KMT2AL3MBTL1NPFFR1NPFFR2OPRD1
SCHEMBL29937525 0.85 CHRM3 (0.42) KMT2AL3MBTL1MAPTCHRM2CHRM3
SCHEMBL31323322 0.85 KMT2A (0.41) KMT2AL3MBTL1ABCB1NPFFR1NPFFR2
SCHEMBL29344024 0.85 KMT2A (0.41) KMT2AL3MBTL1ABCB1NPFFR1NPFFR2
SCHEMBL29937230 0.83 KMT2A (0.40) KMT2AL3MBTL1NPFFR1NPFFR2OPRD1
SCHEMBL25413867 0.82 SMN1; SMN2 (0.43) KMT2AJAK2JAK1STS

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 KMT2A 1154/4885L3MBTL1 3599/4885ABCB1 1298/4885

“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.