SCHEMBL4520932

SCHEMBL4520932

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(C3Cc4ccc(C(F)(F)F)cc4C3)nc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.34
MAOB P27338 1/20 0.31
PDE2A O00408 1/20 0.31
TRPA1 O75762 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CTSD P07339 1/20 0.30
XDH P47989 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
SCHEMBL4791118 0.91 TRPV4 (0.35) TRPV4PDE2ACTSDXDH
SCHEMBL4791071 0.90 DRD1 (0.37) TRPV4CTSDXDH
SCHEMBL4514944 0.88 DRD1 (0.35) TRPA1
SCHEMBL4528337 0.80 CDK1 (0.34) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL4510801 0.80 DDR1 (0.35)
SCHEMBL4506393 0.77 PIK3CD (0.38) TRPV4
SCHEMBL4514027 0.75 DRD1 (0.46)
SCHEMBL1993850 0.72 POLB (0.36) TRPA1
SCHEMBL4527097 0.71 PIK3CD (0.37)
SCHEMBL4413824 0.71 MAPK14 (0.35) TRPV4TRPA1

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 TRPV4 3/4885MAOB 2706/4885PDE2A 1395/4885

“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.