SCHEMBL4525529

SCHEMBL4525529

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(F)c(F)c3F)nc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 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
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
BRD9 Q9H8M2 1/20 0.34
GSR P00390 1/20 0.34
YTHDC1 Q96MU7 1/20 0.33
GRM1 Q13255 2/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL4519861 0.93 SMN1; SMN2 (0.38) NPC1TSHRLMNANPSR1MAOA
SCHEMBL4525993 0.92 DRD1 (0.37) DRD1DRD5NPC1TSHRLMNA
SCHEMBL4517370 0.91 GRM1 (0.37) NPSR1POLBBRD9YTHDC1GRM1
SCHEMBL4513062 0.89 DRD1 (0.36) DRD1DRD5NPC1TSHRLMNA
SCHEMBL4520494 0.89 MAOB (0.38) DRD1DRD5TSHRLMNAXBP1
SCHEMBL4519245 0.89 TP53 (0.37) LMNAHTTNPSR1POLBBRD9
SCHEMBL4523638 0.88 GSR (0.41) DRD1DRD5NPSR1BRD9GSR
SCHEMBL4529686 0.88 DRD1 (0.37) DRD1DRD5TSHRLMNAXBP1
SCHEMBL4529233 0.87 DRD1 (0.40) DRD1DRD5TSHRLMNAPOLB
SCHEMBL4525444 0.86 GSR (0.41) DRD1DRD5TSHRLMNAXBP1

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 DRD1 333/4885DRD5 695/4885NPC1 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.