SCHEMBL23672570

SCHEMBL23672570

CO[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2cnc(C)s2)c2sccc2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ ADORA2B P29275 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL23672722 0.89 CNR1 (0.43) CHRM1CNR1NTRK1
SCHEMBL23672982 0.88 CNR1 (0.42) CHRM1CNR1NTRK1
SCHEMBL23672693 0.87 CHRM1 (0.42) CHRM1CNR1NTRK1
SCHEMBL23672954 0.86 ADORA2A (0.39) ADORA2AMAPK1ADORA1ADORA2BCHRM1
SCHEMBL23672808 0.86 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3CNR1
SCHEMBL23672885 0.85 CHRM1 (0.39) ADORA2AADORA2BCHRM1CNR1NTRK1
SCHEMBL23672919 0.85 CHRM1 (0.44) ADORA2AMAPK1ADORA2BCHRM1PTGES
SCHEMBL23672673 0.82 CHRM1 (0.42) ADORA2AADORA1ADORA2BCHRM1
SCHEMBL23672593 0.82 CHRM1 (0.43) CHRM1
SCHEMBL23672946 0.82 CHRM1 (0.49) CHRM1

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 ADORA2A 62/4885MAPK1 1889/4885ADORA1 56/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 ADORA2A 62/4885MAPK1 1889/4885ADORA1 56/4885

“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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