SCHEMBL17440069

SCHEMBL17440069

Cc1cnc(C(=O)NCC2(O)CCC2)cc1Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 13/20 0.64
▸ KLKB1 P03952 3/20 0.44
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ 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
SCHEMBL17440005 0.98 CHRM1 (0.64) CHRM1KLKB1P2RX7SCN9A
SCHEMBL17440092 0.83 CHRM1 (0.70) CHRM1KLKB1
SCHEMBL17439999 0.83 CHRM1 (0.64) CHRM1KLKB1SCN9A
SCHEMBL17440136 0.81 CHRM1 (0.62) CHRM1KLKB1SCN9A
SCHEMBL18756541 0.81 CHRM1 (0.81) CHRM1
SCHEMBL17440049 0.81 CHRM1 (0.72) CHRM1KLKB1
SCHEMBL17440008 0.81 CHRM1 (0.69) CHRM1KLKB1
SCHEMBL17440009 0.81 CHRM1 (0.69) CHRM1KLKB1
SCHEMBL17440010 0.81 CHRM1 (0.69) CHRM1KLKB1
SCHEMBL17440065 0.80 CHRM1 (0.67) 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-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 3991/4885OPRM1 12/4885

“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.

Send feedback