SCHEMBL25723376

SCHEMBL25723376

Cc1cc2ncccc2cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.52
▸ GRM1 Q13255 9/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ PDE10A Q9Y233 2/20 0.51
▸ JAK1 P23458 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47

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
SCHEMBL17655532 0.82 PDK4 (0.61) GRM5GRM1PDK4PDE10AHTR6
SCHEMBL14591413 0.81 PDK4 (0.61) GRM5GRM1PDK4PDE10AJAK1
SCHEMBL19297054 0.81 PDK4 (0.60) GRM5GRM1PDK4PDE10AJAK1
SCHEMBL29455068 0.80 GRM1 (0.53) GRM5GRM1PDK4PDE10AJAK1
SCHEMBL4001532 0.80 GRM5 (0.63) GRM5GRM1PDK4PDE10ATNK2
SCHEMBL30676170 0.79 GRM5 (0.61) GRM5GRM1PDK4PDE10AHTR6
SCHEMBL2631187 0.79 GRM5 (0.61) GRM5GRM1PDK4PDE10AHTR6
SCHEMBL15951022 0.79 PDK4 (0.60) GRM5GRM1PDK4PDE10ACNR1
SCHEMBL23716616 0.79 GRM5 (0.53) GRM5GRM1PDK4PDE10AJAK1
SCHEMBL29895681 0.79 GRM5 (0.53) GRM5GRM1PDK4PDE10AJAK1

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 3 patents. 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
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
CN-115667273-A Competitive and non-competitive inhibitors of muscarinic acetylcholine receptor M5 范德堡大学 2023-01-31 — — CN 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 GRM5 21/4885GRM1 30/4885PDK4 3127/4885

“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.

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