SCHEMBL30998629

SCHEMBL30998629

CC(C)(OC(=O)N1CC2CCC(C1)N2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ CHRNA6 Q15825 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30998688 0.81 RORC (0.40) RORCGPR119KDM4EALDH1A1ALOX15
SCHEMBL400513 0.77 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22169156 0.77 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24884312 0.77 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL608991 0.77 NR1H2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL7149386 0.76 NR1H2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27150678 0.75 KDM4E (0.44) RORCGPR119HSD11B1KDM4EPKM
SCHEMBL10186558 0.75 SMN1; SMN2 (0.51) GPR119HSD11B1ALDH1A1ALOX15
SCHEMBL18081207 0.74 NR1H2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1404453 0.71 SMN1; SMN2 (0.59) USP30JAK2JAK1

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 1 patent. 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

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 RORC 2746/4885GPR119 3004/4885CHRNB2 4870/4885

“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.

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