SCHEMBL4515514

SCHEMBL4515514

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
NPC1 O15118 1/20 0.37
CNR1 P21554 2/20 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
HIF1A Q16665 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
SRC P12931 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 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
SCHEMBL4514093 0.94 TSHR (0.44) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4519944 0.90 CNR1 (0.37) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4515817 0.90 LMNA (0.43) TSHRALDH1A1NPC1LMNAPDE4A
SCHEMBL4529595 0.89 TSHR (0.39) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4505981 0.87 DRD1 (0.42) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4529739 0.86 PDE4A (0.40) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4521631 0.86 TSHR (0.37) TSHRALDH1A1KDM4EDRD1DRD5
SCHEMBL4520786 0.85 CNR1 (0.39) TSHRDRD1DRD5NPC1CNR1
SCHEMBL4506382 0.84 CNR1 (0.39) TSHRDRD1DRD5NPC1CNR1
SCHEMBL4505926 0.83 CNR1 (0.38) TSHRALDH1A1KDM4EDRD1DRD5

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 TSHR 915/4885ALDH1A1 897/4885KDM4E 4094/4885

“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.