SCHEMBL27127864

SCHEMBL27127864

CC(C)CC(Cc1ncn[nH]1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MME P08473 2/20 0.39
▸ HRH2 P25021 3/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL26965342 1.00 LMNA (0.43) LMNAGAASMN1; SMN2HDAC3HDAC6
SCHEMBL26965318 0.77 MMP1 (0.41) GAASMN1; SMN2HRH4
SCHEMBL27122522 0.77 MMP1 (0.41) GAASMN1; SMN2HRH4
SCHEMBL27128098 0.74 PLA2G10 (0.33) LMNASMN1; SMN2POLBKMT2A
SCHEMBL26965372 0.74 PLA2G10 (0.33) LMNASMN1; SMN2POLBKMT2A
SCHEMBL26965364 0.71 CNR1 (0.32) LMNAMMECNR1
SCHEMBL27121679 0.71 CNR1 (0.32) LMNAMMECNR1
SCHEMBL27127787 0.69 FDPS (0.44) LMNAACACB
Benzene SCHEMBL28850626 0.66 CNR1 (0.43) LMNAHDAC6MMEKMT2ACNR1
SCHEMBL25291547 0.65 ALDH1A1 (0.42) LMNAHDAC6MMEKMT2ACNR1

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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 — — 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS LMNA 2655/4885GAA 2276/4885SMN1; SMN2 1008/4885

“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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