SCHEMBL25817282

SCHEMBL25817282

Cc1cc(Cl)c(Br)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CD44 P16070 1/20 0.33
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29701982 0.82 CYP3A4 (0.39) CYP1A2CD44LMNACYP3A4MAPT
SCHEMBL28785559 0.82 CYP3A4 (0.39) CYP1A2CD44LMNACYP3A4MAPT
SCHEMBL11696990 0.79 CD44 (0.33) CYP1A2CD44CYP3A4
SCHEMBL30888525 0.77 CYP1A2 (0.38) CYP1A2CD44CYP3A4MAPT
SCHEMBL28126392 0.77 HSD17B10 (0.42) LMNACYP3A4MAPT
SCHEMBL28872060 0.75 CYP1A2 (0.33) CYP1A2
SCHEMBL17473830 0.75 CD44 (0.38) CD44LMNACYP3A4MAPT
SCHEMBL8909014 0.75 CYP1A2 (0.38) CYP1A2CYP3A4
SCHEMBL27303182 0.73 CD44 (0.39) CYP1A2CD44CYP3A4MAPT
SCHEMBL27302974 0.73 SIRT1 (0.41) CYP1A2LMNACYP3A4MAPT

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 568/4885CD44 2930/4885LMNA 4761/4885

“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.