SCHEMBL26501115

SCHEMBL26501115

CC(C)Cn1cc(CC(=O)C(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
CYP1A2 P05177 1/20 0.39
ACHE P22303 2/20 0.38
ANPEP P15144 2/20 0.34
KCNMA1 Q12791 1/20 0.33

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
SCHEMBL13542691 0.85 CYP1A2 (0.40) CYP1A2ANPEPKCNMA1
SCHEMBL20362413 0.85 CYP1A2 (0.40) CYP1A2ANPEPKCNMA1
SCHEMBL13542693 0.84 NAMPT (0.41) NAMPTCYP1A2ANPEP
SCHEMBL19296374 0.84 CYP1A2 (0.39) CYP1A2ANPEPKCNMA1
SCHEMBL23330459 0.83 NR1H4 (0.38) CYP1A2
SCHEMBL27387051 0.80 GGPS1 (0.37) CYP1A2
SCHEMBL22803403 0.79 DGAT1 (0.40)
SCHEMBL19296375 0.78 CYP1A2 (0.41) CYP1A2
SCHEMBL24307793 0.78 HDAC1 (0.38) CYP1A2
SCHEMBL23772122 0.78 NR1H4 (0.35) CYP1A2

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS NAMPT 3765/4885CYP1A2 4519/4885ACHE 4625/4885

“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.