SCHEMBL23944981

SCHEMBL23944981

CC1(C)O[C@H]2Cn3c(c(C(C)(C)C)c4ccccc43)C[C@H]2O1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRNA7 P36544 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
SCHEMBL23944980 0.74 JAK3 (0.41) CHRM2CHRNA7
SCHEMBL19960986 0.69 PER2 (0.36) CHRM2CHRNA7
SCHEMBL19960978 0.67 HTR2A (0.36) CHRM2CHRNA7
SCHEMBL23944977 0.66 PER2 (0.36)
SCHEMBL19960987 0.64 HTR2A (0.42)
SCHEMBL19960982 0.62 CHRM2 (0.32) CHRM2CHRNA7
SCHEMBL19960989 0.62 GPR3 (0.31)
SCHEMBL19960984 0.62 CHRM2 (0.30) CHRM2CHRNA7
SCHEMBL14372628 0.61 JAK3 (0.69)
SCHEMBL14372629 0.61 JAK3 (0.69)

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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 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-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 CHRM2 4351/4885CHRNA7 4447/4885

“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.