SCHEMBL23672690

SCHEMBL23672690

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4ccsc34)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ ADORA2A P29274 5/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ CHRM1 P11229 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL23672670 0.92 CHRM1 (0.51) NPC1RAB9ACHRM1KDM4EALDH1A1
SCHEMBL23672933 0.92 CHRM1 (0.43) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672930 0.90 CHRM1 (0.42) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672657 0.90 CHRNB2 (0.41) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23673147 0.90 CHRM1 (0.42) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672715 0.90 CHRM1 (0.51) NPC1RAB9ASMN1; SMN2CHRM1
SCHEMBL23672709 0.89 CHRM1 (0.51) CHRM1
SCHEMBL23672583 0.89 KDM4E (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23672639 0.88 CHRM1 (0.46) NPC1RAB9AKMT2ACHRM1KDM4E
SCHEMBL23672783 0.88 CHRM1 (0.50) 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 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 NPC1 2594/4885RAB9A 1449/4885SMN1; SMN2 972/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 NPC1 2594/4885RAB9A 1449/4885SMN1; SMN2 972/4885

“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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