SCHEMBL23673013

SCHEMBL23673013

Cn1ncc2nc(C(=O)NC[C@H]3CCCO3)cc(Cc3ccc(-n4cccn4)cc3)c21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 14/20 0.53
▸ HTT P42858 2/20 0.45
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL23672849 0.96 CHRM1 (0.52) CHRM1
SCHEMBL17439988 0.84 CHRM1 (0.67) CHRM1POLBMAPTALDH1A1LMNA
SCHEMBL17440031 0.84 CHRM1 (0.67) CHRM1POLBMAPTALDH1A1LMNA
SCHEMBL17440065 0.84 CHRM1 (0.67) CHRM1POLBMAPTALDH1A1LMNA
SCHEMBL17448020 0.84 CHRM1 (0.67) CHRM1POLBMAPTALDH1A1LMNA
SCHEMBL23672926 0.84 CHRM1 (0.54) CHRM1HTTPOLBMAPTHSD17B10
SCHEMBL23672664 0.84 CHRM1 (0.54) CHRM1HTTPOLBMAPTHSD17B10
SCHEMBL23672747 0.82 CHRM1 (0.51) CHRM1HTTPOLBMAPTALDH1A1
SCHEMBL30671905 0.81 CHRM1 (0.51) CHRM1ALDH1A1
SCHEMBL30671907 0.81 CHRM1 (0.51) CHRM1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-09-07 — — US claimed
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 — — US claimed
EP-3416639-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2022-06-08 — — EP disclosed
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-09-07 — — US disclosed
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 — — 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 (2 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-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885HTT 862/4885POLB 3428/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885HTT 862/4885POLB 3428/4885

“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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