SCHEMBL25817290

SCHEMBL25817290

Cc1cc(I)c(Br)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8909014 0.75 CYP1A2 (0.38) CYP1A2
SCHEMBL4175398 0.75 TTR (0.30)
SCHEMBL21218762 0.72 APEX1 (0.38) CYP1A2
SCHEMBL29236284 0.72
SCHEMBL30536512 0.69 ALDH1A1 (0.33)
SCHEMBL31088765 0.68 ALDH1A1 (0.40) CYP1A2
SCHEMBL3735662 0.68 NCEH1 (0.41) CYP1A2
SCHEMBL7173958 0.68 ALDH1A1 (0.40) CYP1A2
SCHEMBL10738156 0.68 CYP3A4 (0.50) CYP1A2
SCHEMBL27871748 0.68 ALDH1A1 (0.33) 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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CYP1A2 568/4885

“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.