SCHEMBL5427488

SCHEMBL5427488

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N(C)c3csc(C(F)(F)F)n3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MCHR1 Q99705 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GRM1 Q13255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AOC3 Q16853 1/20 0.30
DDR1 Q08345 1/20 0.30

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
SCHEMBL5437487 0.88 CNR1 (0.34) CNR1NPC1TSHRHIF1APDE4A
SCHEMBL5435070 0.80 PDE4B (0.34) HIF1APDE4BPDE4DMCHR1ALDH1A1
SCHEMBL5427490 0.78 CNR1 (0.33) CNR1NPC1TSHRHIF1APDE4A
SCHEMBL5428527 0.78 MAPT (0.35) CNR1NPC1TSHRHIF1APDE4A
SCHEMBL5428510 0.78 CNR1 (0.38) CNR1NPC1TSHRHIF1APDE4A
SCHEMBL27670901 0.75 GRM1 (0.38) CNR1NPC1TSHRHIF1AGRM1
SCHEMBL1993358 0.74 CNR1 (0.43) CNR1NPC1TSHRHIF1APDE4A
SCHEMBL5426946 0.73 MAPT (0.36) CNR1NPC1TSHRPDE4APDE4B
SCHEMBL5425818 0.73 ALDH1A2 (0.38) KDM4EALDH1A1MAPT
SCHEMBL4099332 0.71 CNR1 (0.41) CNR1NPC1TSHRHIF1APDE4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP claimed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 CNR1 26/4885NPC1 1077/4885TSHR 1697/4885

“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.