SCHEMBL23673047

SCHEMBL23673047

O=C(NCC1CCCO1)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CHRM1 P11229 3/20 0.47
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ UBE2N P61088 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL23672862 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23672772 0.97 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23673035 0.96 CHRM1 (0.46) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23672985 0.86 CHRM1 (0.49) RAB9ANPC1CHRM1
SCHEMBL23672858 0.85 CHRM1 (0.51) CHRM1
SCHEMBL23672664 0.83 CHRM1 (0.54) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23672926 0.83 CHRM1 (0.54) SMN1; SMN2HPGDRAB9AALDH1A1NPC1
SCHEMBL23672902 0.82 CHRM1 (0.53) CHRM1
SCHEMBL23672850 0.81 CHRM1 (0.54) RAB9ANPC1CHRM1
SCHEMBL23672747 0.81 CHRM1 (0.51) SMN1; SMN2HPGDRAB9AALDH1A1NPC1

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 SMN1; SMN2 972/4885HPGD 3627/4885RAB9A 1449/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 SMN1; SMN2 972/4885HPGD 3627/4885RAB9A 1449/4885

“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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