SCHEMBL23672642

SCHEMBL23672642

COCCNC(=O)c1cc(Cc2ccc(-n3cccn3)cc2)c2sccc2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 10/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ PREP P48147 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL23672696 0.95 CHRM1 (0.41) CHRM1ADORA2AADORA2BADORA3KLKB1
SCHEMBL23672669 0.84 CHRM1 (0.46) CHRM1ADORA2AADORA2BPREPFAP
SCHEMBL23673065 0.84 KLKB1 (0.39) CHRM1ADORA2AADORA2BKLKB1PREP
SCHEMBL23673145 0.84 CHRM1 (0.48) CHRM1PREPFAP
SCHEMBL23673005 0.83 CHRM1 (0.51) CHRM1ADORA2AADORA2B
SCHEMBL23672653 0.82 CHRM1 (0.49) CHRM1
SCHEMBL23673082 0.82 CHRM1 (0.52) CHRM1ADORA2AADORA2B
SCHEMBL23673022 0.82 CHRM1 (0.49) CHRM1ADORA2AADORA2B
SCHEMBL23673149 0.82 CHRM1 (0.43) CHRM1KLKB1PREPFAP
SCHEMBL23672929 0.81 ADORA2A (0.43) CHRM1ADORA2AADORA2BHPGDLMNA

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 1/4885ADORA2A 62/4885ADORA2B 228/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885ADORA2A 62/4885ADORA2B 228/4885

“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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