SCHEMBL5440484

SCHEMBL5440484

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(SCCc3ccc(C(F)(F)F)cc3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.39
MAOB P27338 3/20 0.38
ADORA2A P29274 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAOA P21397 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CDK1 P06493 4/20 0.34
PRKCA P17252 2/20 0.34
TP53 P04637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5432523 0.93 MAOB (0.37) DDR1MAOBADORA2AMAOACDK1
SCHEMBL5429529 0.92 DDR1 (0.38) DDR1MAOBMEN1KMT2AMAOA
SCHEMBL5768791 0.87 DDR1 (0.37) DDR1MAOBADORA2ANPSR1ALDH1A1
SCHEMBL5437261 0.86 MAOB (0.35) DDR1MAOBADORA2AMEN1KMT2A
SCHEMBL5434705 0.85 DDR1 (0.39) DDR1MAOBMAOATP53
SCHEMBL5431686 0.84 MAOB (0.40) DDR1MAOBMEN1KMT2AMAOA
SCHEMBL5437043 0.83 MAT2A (0.42) MAOBMEN1KMT2AMAOANPSR1
SCHEMBL5432034 0.81 NPSR1 (0.41) MAOBMEN1KMT2AMAOANPSR1
SCHEMBL5429829 0.80 MAOB (0.50) MAOBMAOATP53
SCHEMBL5431222 0.79 MAOB (0.34) DDR1MAOBMAOATP53MAPT

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 2 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
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 DDR1 725/4885MAOB 3067/4885ADORA2A 536/4885

“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.