SCHEMBL17449677

SCHEMBL17449677

Cc1cnc(C(=O)NC2CCOCC2O)cc1Cc1ccc(-c2cn(C)nc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.70
PDE2A O00408 1/20 0.69
PDE11A Q9HCR9 1/20 0.69

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
SCHEMBL17440017 1.00 CHRM1 (0.70) CHRM1PDE2APDE11A
SCHEMBL18725478 0.90 CHRM1 (0.64) CHRM1PDE2APDE11A
SCHEMBL17440100 0.89 CHRM1 (0.72) CHRM1PDE2APDE11A
Hydrochloric Acid SCHEMBL18725413 0.89 CHRM1 (0.63) CHRM1PDE2APDE11A
SCHEMBL18725408 0.89 CHRM1 (0.66) CHRM1PDE2APDE11A
SCHEMBL17440114 0.89 CHRM1 (0.75) CHRM1PDE2APDE11A
SCHEMBL17440058 0.89 CHRM1 (0.75) CHRM1PDE2APDE11A
SCHEMBL17443033 0.86 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL17448017 0.84 CHRM1 (0.68) CHRM1PDE2APDE11A
SCHEMBL23672631 0.83 CHRM1 (0.58) 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 2 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

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.