SCHEMBL4530785

SCHEMBL4530785

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3c(F)cc(F)cc3F)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
CNR1 P21554 2/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CASP4 P49662 1/20 0.35
MMP14 P50281 1/20 0.35
CTSC P53634 1/20 0.35
BACE1 P56817 1/20 0.35
ADAM17 P78536 1/20 0.35
CTSZ Q9UBR2 1/20 0.35

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
SCHEMBL4522496 0.93 CDK1 (0.39) MAT2ATSHRLMNACTSVCTSL
SCHEMBL4515108 0.91 CNR1 (0.38) CNR1TSHRLMNAXBP1HTT
SCHEMBL4520072 0.89 MAT2A (0.38) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4521476 0.88 GSR (0.39) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4520372 0.88 GSR (0.37) MAT2ATSHRLMNAXBP1HTT
SCHEMBL4522510 0.87 GSR (0.40) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4509737 0.86 CNR1 (0.38) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4525433 0.86 POLB (0.37) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4524676 0.86 GAA (0.43) MAT2ACNR1TSHRLMNAXBP1
SCHEMBL4531196 0.85 HKDC1 (0.39) TSHRLMNAADORA2AHIF1APDE4A

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 MAT2A 3846/4885CNR1 18/4885TSHR 915/4885

“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.