SCHEMBL17440136

SCHEMBL17440136

Cc1cnc(C(=O)NCC(=O)N(C)C)cc1Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.62
▸ KLKB1 P03952 4/20 0.46
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.39
▸ SCN9A Q15858 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
SCHEMBL17439999 0.85 CHRM1 (0.64) CHRM1KLKB1KLK1PI4KBSCN9A
SCHEMBL17440092 0.83 CHRM1 (0.70) CHRM1KLKB1
SCHEMBL17440123 0.82 CHRM1 (0.65) CHRM1KLKB1
SCHEMBL18756669 0.82 CHRM1 (0.65) CHRM1KLKB1SCN9A
SCHEMBL18756509 0.82 CHRM1 (0.65) CHRM1KLKB1CA12CA1CA2
SCHEMBL17439987 0.81 CHRM1 (0.64) CHRM1KLKB1SCN9A
SCHEMBL17440049 0.81 CHRM1 (0.72) CHRM1KLKB1
SCHEMBL17440069 0.81 CHRM1 (0.64) CHRM1KLKB1SCN9A
SCHEMBL17440005 0.81 CHRM1 (0.64) CHRM1KLKB1SCN9A
SCHEMBL17440030 0.81 CHRM1 (0.61) CHRM1KLKB1

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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 CHRM1 1/4885KLKB1 3991/4885CA12 4659/4885

“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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