SCHEMBL14045754

SCHEMBL14045754

CN1CCNC(Cc2ccc(CC=O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33
CHKA P35790 1/20 0.33
CHIT1 Q13231 2/20 0.31
CHIA Q9BZP6 2/20 0.31
ABCB1 P08183 1/20 0.30
CCR3 P51677 1/20 0.30

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
SCHEMBL13859660 0.82 PLG (0.40) POLBCCR3
SCHEMBL1368801 0.81 POLB (0.51) CA1CA2CA4CA9POLB
SCHEMBL14986325 0.81 POLB (0.51) CA1CA2CA4CA9POLB
SCHEMBL11386097 0.81 POLB (0.51) CA1CA2CA4CA9POLB
SCHEMBL4578016 0.80 CA2 (0.42) CA1CA2CA4CA9HRH3
Tert-Butyl Formate SCHEMBL27914286 0.78 CA1 (0.41) ADRB1CA1CA2CA4CA9
SCHEMBL14025126 0.77 SMN1; SMN2 (0.46) CA1CA2CA4CA9CCR3
SCHEMBL18852037 0.77 SIRT6 (0.47) HRH3POLB
SCHEMBL22850050 0.74
SCHEMBL18577258 0.73 LSS (0.44) POLBCHIT1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 ADRB1 53/4885CA1 3692/4885CA2 1630/4885

“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.