SCHEMBL23673043

SCHEMBL23673043

Cn1ccc(-c2ccc(Cc3cc(C(=O)NC[C@@H]4CCCO4)nc4ccsc34)cn2)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL23672799 1.00 CHRM1 (0.48) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23672585 0.98 CHRM1 (0.48) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23673000 0.96 CHRM1 (0.47) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23672689 0.90 CHRM1 (0.55) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23672613 0.90 CHRM1 (0.55) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23673075 0.88 CHRM1 (0.47) CHRM1
SCHEMBL23672717 0.88 CHRM1 (0.53) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL23672788 0.87 CHRM1 (0.46) CHRM1
SCHEMBL23672824 0.87 CHRM1 (0.46) CHRM1
SCHEMBL23673036 0.86 CHRM1 (0.52) CHRM1SMN1; SMN2ALDH1A1HPGDNPC1

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 1/4885SMN1; SMN2 972/4885ALDH1A1 3782/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885SMN1; SMN2 972/4885ALDH1A1 3782/4885

“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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