SCHEMBL3136125

SCHEMBL3136125

CCCn1c(C23CC4CC(C2)C(C4)C3)nc2c1c(=O)[nH]c(=O)n2CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.45
ADORA2A P29274 6/20 0.43
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
HPGD P15428 3/20 0.42
CYP2C9 P11712 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
ADORA2B P29275 2/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4A O75164 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL7758401 0.74 ALDH1A1 (0.59) HPGDALDH1A1MAPK1NPSR1RXFP1
SCHEMBL7755160 0.72 ADORA2B (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL4472274 0.71 ADORA1 (0.45) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL7270107 0.71 ADORA1 (0.59) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL14267088 0.70 ADORA2A (0.43) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL7758347 0.70 ADORA3 (0.48) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7758386 0.70 ADORA3 (0.48) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7761664 0.69 ADORA3 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL31060755 0.69 ADORA1 (0.89) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7759707 0.69 ADORA3 (0.46) ADORA1ADORA2AADORA2BADORA3

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-20100075935-A1 XANTHINE MODULATORS OF ADENOSINE A1 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 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-20100075935-A1 XANTHINE MODULATORS OF ADENOSINE A1 RECEPTOR ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885PDE4A 47/4885

“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.