SCHEMBL668522

SCHEMBL668522

CCC(=CC(=O)C12CCCN(CC1)C2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL9136497 0.75 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9379693 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2821568 0.72 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2821565 0.72 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL9293775 0.72 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL31731969 0.70 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL205297 0.70 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL668521 0.70 HCAR2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2822867 0.69 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8557075 0.69 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3

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-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 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-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 CHRM2 2359/4885CHRM4 3366/4885CHRM1 2131/4885

“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.