SCHEMBL4560684

SCHEMBL4560684

Cc1nc2[nH]cnc2c(=O)n1C1CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HCAR1 Q9BXC0 4/20 0.35
▸ SRC P12931 4/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ IL1B P01584 1/20 0.33
▸ IKZF3 Q9UKT9 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RGS12 O14924 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ AURKA O14965 1/20 0.31

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
SCHEMBL4560685 0.78 HCAR1 (0.35) ADORA3HCAR1SRCDDB1CRBN
SCHEMBL4560687 0.73 ADORA2B (0.36) ADORA3ADORA2BHCAR1DDB1CRBN
SCHEMBL14743922 0.69 ADORA3 (0.48) ADORA3ADORA2BHCAR1RGS12USP2
SCHEMBL12102063 0.69 ADORA2A (0.41) ADORA3ADORA2BGAAALDH1A1
SCHEMBL8561736 0.65 HCAR1 (0.45) HCAR1SRCGAAALDH1A1SLC18A3
SCHEMBL8340811 0.64 JAK1 (0.42) ADORA3ADORA2BRGS12USP2ALDH1A1
SCHEMBL19398916 0.63 POLB (0.52) GAAALOX15USP2ALDH1A1POLB
SCHEMBL22091557 0.62 HCAR1 (0.34) ADORA3ADORA2BHCAR1ALDH1A1JAK2
SCHEMBL6270953 0.62 MTOR (0.39) ALDH1A1JAK2JAK1
SCHEMBL13979500 0.61 PDE2A (0.33) ADORA2B

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 — — 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 ADORA3 507/4885ADORA2B 581/4885HCAR1 87/4885

“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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