SCHEMBL30456775

SCHEMBL30456775

Cc1cc(C#N)cnc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.47
GRM5 P41594 9/20 0.47
KDM1A O60341 1/20 0.45
CYP11B2 P19099 1/20 0.44
TNK2 Q07912 1/20 0.44
PDK4 Q16654 1/20 0.44
PDE10A Q9Y233 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
KIT P10721 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL25723290 1.00 GRM1 (0.47) GRM1GRM5KDM1ACYP11B2TNK2
SCHEMBL20135287 0.87 GRM1 (0.52) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL25226634 0.85 LIMK1 (0.46) LIMK1LIMK2
SCHEMBL15168000 0.84 TNK2 (0.50) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL30899649 0.84 GRM1 (0.49) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL15167800 0.84 GRM1 (0.49) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL30366133 0.84 GRM1 (0.49) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL31533241 0.82 GRM1 (0.49) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL25237973 0.82 GRM1 (0.49) GRM1GRM5CYP11B2TNK2PDK4
SCHEMBL12686706 0.81 GRM1 (0.53) GRM1GRM5KDM1APDK4GPR119

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 GRM1 30/4885GRM5 21/4885KDM1A 1238/4885

“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.