SCHEMBL4530214

SCHEMBL4530214

CC(C)CCc1nc2c(ncn2C)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.44
DRD5 P21918 4/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
NPC1 O15118 1/20 0.35
GRM1 Q13255 1/20 0.34
POLB P06746 1/20 0.34
CDK1 P06493 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
SCHEMBL4505981 0.93 DRD1 (0.42) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4980364 0.89 DRD1 (0.41) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4977743 0.89 DRD1 (0.41) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4288347 0.88 DRD1 (0.39) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4977073 0.88 DRD1 (0.39) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4515713 0.88 DRD1 (0.39) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4514093 0.87 TSHR (0.44) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4982038 0.86 DRD1 (0.38) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4520603 0.84 DRD1 (0.38) DRD1DRD5ALDH1A1TSHRKDM4E
SCHEMBL4506682 0.84 DRD1 (0.37) DRD1DRD5ALDH1A1TSHRKDM4E

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 695/4885ALDH1A1 897/4885

“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.