SCHEMBL4520786

SCHEMBL4520786

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CCCC(F)(F)F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.39
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HIF1A Q16665 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL4506382 0.97 CNR1 (0.39) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4524975 0.93 HIF1A (0.42) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4512837 0.92 CNR1 (0.46) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4522615 0.91 HKDC1 (0.41) TSHRNPC1LMNAMAPK1CDK1
SCHEMBL4529595 0.89 TSHR (0.39) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4523527 0.89 CNR1 (0.40) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4524872 0.89 CNR1 (0.45) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4517383 0.88 CNR1 (0.37) CNR1TSHRNPC1LMNAXBP1
SCHEMBL4524524 0.88 CDK1 (0.34) LMNAMAPK1CDK1CCNB1CCNE1
SCHEMBL4505926 0.87 CNR1 (0.38) CNR1TSHRNPC1LMNAXBP1

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 CNR1 18/4885TSHR 915/4885NPC1 631/4885

“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.