SCHEMBL4518485

SCHEMBL4518485

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 13/20 0.57
DRD5 P21918 13/20 0.57
SMN1; SMN2 Q16637 1/20 0.45
GRM1 Q13255 1/20 0.43
CNR1 P21554 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL4412562 0.88 DRD1 (0.46) DRD1DRD5SMN1; SMN2GRM1PIK3CD
SCHEMBL3179574 0.86 DRD1 (0.44) DRD1DRD5SMN1; SMN2GRM1PIK3CD
SCHEMBL3179577 0.86 DRD1 (0.44) DRD1DRD5SMN1; SMN2GRM1PIK3CD
SCHEMBL4413685 0.86 DRD1 (0.52) DRD1DRD5SMN1; SMN2GRM1CNR1
SCHEMBL4421685 0.84 DRD1 (0.51) DRD1DRD5SMN1; SMN2GRM1CNR1
SCHEMBL4514027 0.84 DRD1 (0.46) DRD1DRD5SMN1; SMN2CNR1PIK3CD
SCHEMBL4531450 0.82 DRD1 (0.45) DRD1DRD5SMN1; SMN2CNR1PIK3CD
SCHEMBL4505969 0.80 DRD1 (0.48) DRD1DRD5GRM1CNR1PIK3CD
SCHEMBL1997653 0.79 CDK1 (0.41) SMN1; SMN2GRM1
SCHEMBL4521842 0.78 DRD1 (0.46) DRD1DRD5GRM1CNR1PIK3CD

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 3 patents. 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
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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 695/4885SMN1; SMN2 3506/4885

“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.