SCHEMBL23672948

SCHEMBL23672948

COCCCNC(=O)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ HDAC3 O15379 8/20 0.40
▸ HDAC1 Q13547 8/20 0.40
▸ HDAC6 Q9UBN7 8/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA2B P29275 3/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL23672929 0.94 ADORA2A (0.43) HDAC3HDAC1HDAC6CHRM1ADORA2A
SCHEMBL23672718 0.86 CD38 (0.44) HPGDSADORA2AADORA2BNPC1RAB9A
SCHEMBL23672696 0.82 CHRM1 (0.41) CHRM1ADORA2AADORA2BADORA3GAA
SCHEMBL23673056 0.80 ADORA2B (0.45) ADORA2AADORA2BADORA3NPC1RAB9A
SCHEMBL23672886 0.79 CHRM1 (0.51) CHRM1ADORA2AADORA2BADRB2
SCHEMBL23673035 0.79 CHRM1 (0.46) CHRM1NPC1RAB9AALDH1A1LMNA
SCHEMBL23672951 0.78 CHRM1 (0.45) CHRM1ADORA2AADORA2BADRB2
SCHEMBL23673136 0.78 CHRM1 (0.47) CHRM1ADORA2AADORA2BADRB2
SCHEMBL23672985 0.78 CHRM1 (0.49) CHRM1ADORA2AADORA2BNPC1RAB9A
SCHEMBL23672883 0.78 CHRM1 (0.45) CHRM1ADORA2AADORA2BADORA3ADRB2

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 HPGDS 4727/4885HDAC3 729/4885HDAC1 720/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 HPGDS 4727/4885HDAC3 729/4885HDAC1 720/4885

“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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