SCHEMBL4560687

SCHEMBL4560687

Cn1c(C2CCCCC2=O)nc2[nH]cnc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 4/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 3/20 0.35
▸ HCAR1 Q9BXC0 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TLR4 O00206 1/20 0.31
▸ DDB1 Q16531 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
SCHEMBL4560684 0.73 ADORA3 (0.35) ADORA2BADORA3HCAR1ALDH1A1GAA
SCHEMBL12102063 0.70 ADORA2A (0.41) ADORA2BADORA3ADORA2AAPAF1CASP6
SCHEMBL20866 0.68 ATAD2 (0.41) ADORA2BADORA3ADORA2AAPAF1CASP6
SCHEMBL23494772 0.65 DDB1 (0.62) LMNASMN1; SMN2DDB1CRBN
SCHEMBL14743922 0.65 ADORA3 (0.48) ADORA2BADORA3ADORA2AHCAR1KDM4E
SCHEMBL19398916 0.64 POLB (0.52) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL17186251 0.62 HPGD (0.38) HPGDJAK2JAK1
Hydrochloric Acid SCHEMBL17186440 0.62 HPGD (0.36) ADORA2BADORA3HPGDJAK2JAK1
SCHEMBL6270953 0.62 MTOR (0.39) ADORA2AKDM4EALDH1A1JAK2JAK1
Hydrochloric Acid SCHEMBL17186344 0.62 HPGD (0.38) HPGDJAK2JAK1

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 ADORA2B 581/4885ADORA3 507/4885ADORA2A 495/4885

“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.

Send feedback