SCHEMBL23672951

SCHEMBL23672951

O=C(NC1CC(F)C1)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.45
▸ ADORA2A P29274 8/20 0.38
▸ ADORA2B P29275 5/20 0.38
▸ ADORA1 P30542 4/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ CD38 P28907 1/20 0.35

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
SCHEMBL23673136 0.89 CHRM1 (0.47) CHRM1ADORA2AADORA2BADORA1CYP2D6
SCHEMBL23672883 0.88 CHRM1 (0.45) CHRM1ADORA2AADORA2BADORA1CYP2D6
SCHEMBL23672886 0.88 CHRM1 (0.51) CHRM1ADORA2AADORA2BADORA1CYP2D6
SCHEMBL23672697 0.87 CHRM1 (0.45) CHRM1ADORA2AADORA2BADORA1SCN9A
SCHEMBL23672850 0.86 CHRM1 (0.54) CHRM1ADORA2AADORA2BADORA1
SCHEMBL23672575 0.86 CHRM1 (0.45) CHRM1ADORA2AADORA2BADORA1ROCK2
SCHEMBL23672827 0.86 CD38 (0.41) CHRM1ADORA2AADORA2BADORA1ROCK2
SCHEMBL23672655 0.85 CHRM1 (0.56) CHRM1ROCK2SCN9A
SCHEMBL23672787 0.85 CHRM1 (0.56) CHRM1ROCK2SCN9A
SCHEMBL23672583 0.84 KDM4E (0.39) CHRM1ADORA2AADORA2BADORA1ROCK2

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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