SCHEMBL23673035

SCHEMBL23673035

O=C(NCC1CCO1)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ UBE2N P61088 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL23673047 0.96 SMN1; SMN2 (0.49) CHRM1SMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL23672862 0.96 SMN1; SMN2 (0.49) CHRM1SMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL23672772 0.95 SMN1; SMN2 (0.46) CHRM1SMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL23672985 0.89 CHRM1 (0.49) CHRM1RAB9ANPC1
SCHEMBL23672858 0.87 CHRM1 (0.51) CHRM1
SCHEMBL23672850 0.83 CHRM1 (0.54) CHRM1RAB9ANPC1
SCHEMBL23672798 0.82 CHRM1 (0.49) CHRM1HTT
SCHEMBL23672655 0.82 CHRM1 (0.56) CHRM1RAB9AKMT2ASCN9A
SCHEMBL23672787 0.82 CHRM1 (0.56) CHRM1RAB9AKMT2ASCN9A
SCHEMBL23672886 0.81 CHRM1 (0.51) 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 4 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
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 972/4885HPGD 3627/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885SMN1; SMN2 972/4885HPGD 3627/4885

“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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