SCHEMBL23672636

SCHEMBL23672636

O=C(N[C@@H]1CCC[C@H]1O)c1cc(Cc2ccc(C(F)(F)F)nc2)c2sccc2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 11/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ SCN9A Q15858 3/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42
▸ NTRK1 P04629 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
SCHEMBL23672577 0.98 CHRM1 (0.46) CHRM1ADORA2ASCN9ACYP3A4CYP3A5
SCHEMBL23672618 0.97 CHRM1 (0.46) CHRM1ADORA2ASCN9ACYP3A4CYP3A5
SCHEMBL23672842 0.95 ADORA2A (0.44) CHRM1ADORA2ASCN9ACYP3A4CYP3A5
SCHEMBL23672855 0.89 CHRM1 (0.51) CHRM1ADORA2ACYP3A4CYP3A5
SCHEMBL23672611 0.89 CHRM1 (0.46) CHRM1ADORA2ASCN9ACYP3A4CYP3A5
SCHEMBL23672758 0.87 CHRM1 (0.53) CHRM1NTRK1
SCHEMBL23672973 0.87 ADORA2A (0.42) CHRM1ADORA2ASCN9ACYP3A4CYP3A5
SCHEMBL19268125 0.85 CHRM1 (0.56) CHRM1NTRK1
SCHEMBL23672619 0.85 CHRM1 (0.47) CHRM1NTRK1
SCHEMBL23672752 0.85 CHRM1 (0.55) CHRM1NTRK1

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 62/4885SCN9A 1036/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885ADORA2A 62/4885SCN9A 1036/4885

“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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