SCHEMBL559943

SCHEMBL559943

CN1CCC[C@H]1COc1ccc2cnc(NC3CCC(O)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.48
CHRNB4 P30926 12/20 0.48
CHRNA3 P32297 12/20 0.48
CHRNB1 P11230 9/20 0.48
CHRNB3 Q05901 9/20 0.48
CHRNA4 P43681 5/20 0.47

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
SCHEMBL559942 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL10166344 0.86 CDK2 (0.47)
SCHEMBL558793 0.86 CDK2 (0.47)
SCHEMBL558794 0.86 CDK2 (0.47)
SCHEMBL560212 0.84 MAPK8 (0.44)
SCHEMBL560213 0.84 MAPK8 (0.44)
SCHEMBL559140 0.84 FAAH (0.50)
SCHEMBL559336 0.84 FAAH (0.50)
SCHEMBL559337 0.84 FAAH (0.50)
SCHEMBL559139 0.84 FAAH (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CHRNB2 3160/4885CHRNB4 3267/4885CHRNA3 3087/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CHRNB2 3160/4885CHRNB4 3267/4885CHRNA3 3087/4885

“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.