SCHEMBL20031037

SCHEMBL20031037

Cc1nc(-c2ccc(Cc3cc(C(=O)O)nc4sccc34)cc2)co1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ ENPP3 O14638 5/20 0.39
▸ ENPP1 P22413 3/20 0.39
▸ IGFBP5 P24593 3/20 0.37
▸ IGFBP3 P17936 1/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ TP53 P04637 4/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34

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
SCHEMBL20030899 0.82 CHRM1 (0.54) CHRM1
SCHEMBL20030747 0.80 ENPP3 (0.40) ENPP3ENPP1CHRM1TP53S1PR1
SCHEMBL17440138 0.78 CHRM1 (0.44) ENPP3ENPP1CHRM1TP53LMNA
SCHEMBL17440139 0.74 TP53 (0.45) ENPP3ENPP1IGFBP5CHRM1TP53
SCHEMBL17450461 0.70 CHRM1 (0.45) ENPP3ENPP1CHRM1TP53S1PR1
SCHEMBL23672735 0.69 CHRM1 (0.41) CHRM1
SCHEMBL23672576 0.68 NPC1 (0.43) CHRM1S1PR1LMNA
SCHEMBL23673030 0.68 CHRM1 (0.50) CHRM1
SCHEMBL23672632 0.68 CHRM1 (0.44) CHRM1
SCHEMBL23672916 0.68 IRAK4 (0.37) CHRM1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-05-06 — — US disclosed
WO-2018063552-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2018-04-05 — — 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 (1 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-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 DHODH 4707/4885ENPP3 2036/4885ENPP1 1570/4885

“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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