SCHEMBL23672727

SCHEMBL23672727

O=C(N[C@@H]1CCOC1)c1cc(Cc2ccc(-c3cncs3)cc2)c2sccc2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.44
▸ CD38 P28907 2/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SCN9A Q15858 2/20 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
SCHEMBL23672569 1.00 CHRM1 (0.44) CHRM1CD38PDE2APDE11AROCK2
SCHEMBL23672634 0.95 CHRM1 (0.48) CHRM1CD38PDE2APDE11AADORA2A
SCHEMBL23672848 0.93 CD38 (0.41) CHRM1CD38PDE2APDE11AADORA2A
SCHEMBL23672767 0.89 CHRM1 (0.49) CHRM1CD38PDE2APDE11A
SCHEMBL23672774 0.89 CHRM1 (0.49) CHRM1CD38PDE2APDE11A
SCHEMBL23672834 0.87 CD38 (0.41) CHRM1CD38KMT2AADORA2AADORA1
SCHEMBL23672665 0.87 ADORA2A (0.42) CHRM1CD38PDE2APDE11AADORA2A
SCHEMBL23672655 0.86 CHRM1 (0.56) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672787 0.86 CHRM1 (0.56) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672879 0.86 CD38 (0.39) CHRM1CD38ADORA2AADORA1

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 1/4885CD38 1821/4885PDE2A 513/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885CD38 1821/4885PDE2A 513/4885

“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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