SCHEMBL4522751

SCHEMBL4522751

CCC(C)(C)Cc1nc2c(ncn2C)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNN2 Q9H2S1 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
GRM1 Q13255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CDK1 P06493 1/20 0.33
TBXA2R P21731 1/20 0.33
HIF1A Q16665 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
SCHEMBL4514806 0.90 DRD1 (0.39) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4979252 0.88 CNR1 (0.35) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4532221 0.88 CNR1 (0.38) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4506682 0.83 DRD1 (0.37) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4525318 0.80 CNR1 (0.38) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4520627 0.80 DRD1 (0.41) TSHRLMNAHTTDRD1DRD5
SCHEMBL4517838 0.79 CDK1 (0.38) NPC1POLBKCNN2KCNN3GRM1
SCHEMBL4522408 0.79 CNR1 (0.39) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4530214 0.79 DRD1 (0.44) TSHRLMNAXBP1HTTNPSR1
SCHEMBL4517383 0.78 CNR1 (0.37) TSHRLMNAXBP1HTTNPSR1

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 TSHR 915/4885LMNA 4529/4885XBP1 2659/4885

“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.