SCHEMBL19260906

SCHEMBL19260906

Cn1ncc2nc(C(=O)O)cc(Cc3ccc(-c4cscn4)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ PDE11A Q9HCR9 1/20 0.42
▸ IGFBP5 P24593 6/20 0.38
▸ IGFBP3 P17936 1/20 0.38
▸ ECE1 P42892 1/20 0.37
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL20030906 0.86 CHRM1 (0.42) CHRM1PDE2APDE11AIGFBP5IGFBP3
SCHEMBL23672778 0.83 CHRM1 (0.57) CHRM1PDE2APDE11A
SCHEMBL23672646 0.82 CHRM1 (0.60) CHRM1PDE2APDE11A
SCHEMBL23695832 0.82 CHRM1 (0.54) CHRM1PDE2APDE11APDE10A
SCHEMBL23672867 0.82 CHRM1 (0.61) CHRM1PDE2APDE11A
SCHEMBL23672737 0.82 CHRM1 (0.52) CHRM1PDE2APDE11AKDM4E
SCHEMBL19268043 0.81 CHRM1 (0.35) CHRM1PDE2APDE11APDE10A
SCHEMBL19268069 0.80 CHRM1 (0.47) CHRM1PDE2APDE11APDE10A
SCHEMBL23672679 0.80 CHRM1 (0.50) CHRM1PDE2APDE11AKDM4E
SCHEMBL23672995 0.79 CHRM1 (0.71) CHRM1PDE2APDE11A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416639-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2022-06-08 — — EP disclosed
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
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 — — US disclosed
EP-3416639-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 Vanderbilt University (US) 2018-12-26 — — EP disclosed
WO-2017143041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2017-08-24 — — WO disclosed
WO-2017143041-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2017-08-24 — — WO 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 1/4885PDE2A 513/4885PDE11A 920/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885PDE2A 513/4885PDE11A 920/4885

“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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