SCHEMBL4525993

SCHEMBL4525993

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
MAPK14 Q16539 2/20 0.36
GRM1 Q13255 2/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A3 P47895 1/20 0.34
MAOB P27338 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CNR1 P21554 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
SCHEMBL4529686 0.92 DRD1 (0.37) DRD1DRD5MAPK14HTTALDH1A2
SCHEMBL4529233 0.92 DRD1 (0.40) DRD1DRD5MAPK14GRM1TP53
SCHEMBL4525529 0.92 DRD1 (0.36) DRD1DRD5MAPK14GRM1NPC1
SCHEMBL4505798 0.92 HKDC1 (0.39) MAPK14TP53ALDH1A2ALDH1A3MAOB
SCHEMBL4520024 0.91 MAPK14 (0.35) MAPK14ALDH1A2ALDH1A3MAOBTSHR
SCHEMBL4515658 0.90 MAPT (0.39) DRD1DRD5MAPK14GRM1HTT
SCHEMBL4523241 0.89 CNR1 (0.37) DRD1DRD5GRM1NPC1HTT
SCHEMBL4513062 0.88 DRD1 (0.36) DRD1DRD5MAPK14GRM1NPC1
SCHEMBL4516517 0.87 JAK2 (0.37) ALDH1A2ALDH1A3MAOB
SCHEMBL4505875 0.87 TSHR (0.40) DRD1DRD5MAPK14HTTTP53

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 695/4885MAPK14 3169/4885

“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.