SCHEMBL4529233

SCHEMBL4529233

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccccc3F)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
GRM1 Q13255 1/20 0.39
POLB P06746 4/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36

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
SCHEMBL4525993 0.92 DRD1 (0.37) DRD1DRD5GRM1POLBCNR1
SCHEMBL4515658 0.89 MAPT (0.39) DRD1DRD5GRM1TSHRALDH1A1
SCHEMBL4520494 0.89 MAOB (0.38) DRD1DRD5POLBTSHRALDH1A1
SCHEMBL4520627 0.89 DRD1 (0.41) DRD1DRD5CNR1TSHRSMN1; SMN2
SCHEMBL4521820 0.89 PDE4A (0.40) DRD1DRD5GRM1POLBCNR1
SCHEMBL4525444 0.88 GSR (0.41) DRD1DRD5POLBTSHRSMN1; SMN2
SCHEMBL4529686 0.88 DRD1 (0.37) DRD1DRD5POLBCNR1CNR2
SCHEMBL4523638 0.88 GSR (0.41) DRD1DRD5SMN1; SMN2KMT2AMAPK14
SCHEMBL4525529 0.87 DRD1 (0.36) DRD1DRD5GRM1POLBTSHR
SCHEMBL4505875 0.87 TSHR (0.40) DRD1DRD5TSHRSMN1; SMN2L3MBTL1

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 695/4885GRM1 73/4885

“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.