SCHEMBL17439980

SCHEMBL17439980

Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1[C@H](F)c1ccc(-n2cccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.70
▸ PDE2A O00408 1/20 0.44
▸ PDE11A Q9HCR9 1/20 0.44
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ NTRK1 P04629 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
SCHEMBL17440040 1.00 CHRM1 (0.70) CHRM1PDE2APDE11APDCD1CD274
SCHEMBL17439981 1.00 CHRM1 (0.70) CHRM1PDE2APDE11APDCD1CD274
SCHEMBL17440131 1.00 CHRM1 (0.70) CHRM1PDE2APDE11APDCD1CD274
SCHEMBL17440076 0.89 CHRM1 (0.69) CHRM1
SCHEMBL17443021 0.86 CHRM1 (0.57) CHRM1
SCHEMBL17440059 0.83 CHRM1 (1.00) CHRM1PDE2APDE11A
SCHEMBL17440102 0.83 CHRM1 (1.00) CHRM1PDE2APDE11A
SCHEMBL17440063 0.83 CHRM1 (1.00) CHRM1PDE2APDE11A
SCHEMBL17440162 0.81 CHRM1 (0.80) CHRM1PDE2APDE11A
SCHEMBL17439982 0.81 CHRM1 (0.80) 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 6 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 claimed
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
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 1/4885PDE2A 818/4885PDE11A 831/4885

“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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