SCHEMBL23673016

SCHEMBL23673016

CC1(C)CC(NC(=O)c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4ccsc34)cc2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ APAF1 O14727 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL23672894 0.89 CHRM1 (0.48) KMT2ARAB9AAPAF1NPC1MEN1
SCHEMBL23672834 0.89 CD38 (0.41) KMT2ARAB9AAPAF1NPC1MEN1
SCHEMBL23672944 0.87 CHRM1 (0.51) KMT2ARAB9AAPAF1NPC1CHRM1
SCHEMBL23672658 0.87 CHRM1 (0.56) KMT2ARAB9AAPAF1NPC1CHRM1
SCHEMBL23672704 0.87 RAB9A (0.40) KMT2ARAB9AAPAF1NPC1MEN1
SCHEMBL23672797 0.86 BRD4 (0.48) KMT2ARAB9ANPC1BRD4CHRM1
SCHEMBL23672698 0.83 CHRM1 (0.48) KMT2ARAB9AAPAF1NPC1MEN1
SCHEMBL23673143 0.83 CHRM1 (0.58) KMT2ARAB9AAPAF1NPC1MEN1
SCHEMBL23673027 0.83 ADORA2A (0.40) BRD4ADORA2AADORA2BADORA1
SCHEMBL23672850 0.76 CHRM1 (0.54) RAB9ANPC1BRD4CHRM1ADORA2A

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 KMT2A 908/4885RAB9A 1449/4885APAF1 4467/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885RAB9A 1449/4885APAF1 4467/4885

“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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