SCHEMBL27121679

SCHEMBL27121679

CC(C)CC(Cc1cnn[nH]1)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MME P08473 3/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ FOLH1 Q04609 1/20 0.30
▸ MMEL1 Q495T6 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
SCHEMBL26965364 1.00 CNR1 (0.32) CNR1ALDH1A1LMNAMMEGRN
SCHEMBL4788962 0.82 NPC1 (0.37) LMNA
SCHEMBL13210035 0.72 — —
SCHEMBL27128098 0.71 PLA2G10 (0.33) ALDH1A1LMNAFOLH1MMEL1
SCHEMBL26965342 0.71 LMNA (0.43) CNR1LMNAMME
SCHEMBL27127864 0.71 LMNA (0.43) CNR1LMNAMME
SCHEMBL26965372 0.71 PLA2G10 (0.33) ALDH1A1LMNAFOLH1MMEL1
SCHEMBL24387617 0.70 SCN10A (0.39) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27120118 0.69 SCN10A (0.38) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL26965329 0.69 SCN10A (0.38) ALDH1A1LMNA

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 CNR1 3281/4885ALDH1A1 1457/4885LMNA 2655/4885

“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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