SCHEMBL5440474

SCHEMBL5440474

CCn1cnc2c(=O)n(-c3ccc(Cl)c(OC(C)C)c3)c(SCCC(F)(F)F)nc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
TP53 P04637 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRIN1 Q05586 8/20 0.33
GRIN2B Q13224 8/20 0.33
RXRA P19793 7/20 0.33
APLNR P35414 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KCNH2 Q12809 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTGDR Q13258 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
SCHEMBL5438652 0.91 CTSS (0.39) CCR1TP53CTSSCTSKAPLNR
SCHEMBL27670848 0.88 SRC (0.32) TP53CTSSCTSKAPLNRMEN1
SCHEMBL5431917 0.84 CNR1 (0.39) TP53
SCHEMBL5429779 0.82 TP53 (0.39) CCR1TP53MEN1KMT2A
SCHEMBL5432034 0.81 NPSR1 (0.41) TP53MEN1KMT2A
SCHEMBL5434559 0.79 MAOA (0.39)
SCHEMBL5433744 0.78 CTSS (0.38) CTSSCTSKMEN1KMT2A
SCHEMBL5426635 0.78 CYP2C19 (0.43)
SCHEMBL5431789 0.77 GRM1 (0.36) TP53MEN1KMT2ACYP11B2
SCHEMBL5431688 0.76 MEN1 (0.33) TP53CTSSAPLNRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 CCR1 346/4885TP53 4137/4885CTSS 4571/4885

“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.