SCHEMBL4099269

SCHEMBL4099269

O=c1c2ncn(CC(F)(F)F)c2nc(OCCC(F)(F)F)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.48
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HIF1A Q16665 1/20 0.37
CNR2 P34972 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP17A1 P05093 1/20 0.33
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
XDH P47989 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4099332 0.92 CNR1 (0.41) CNR1MAOAMAOBHIF1ACNR2
SCHEMBL4093553 0.86 MAOA (0.43) CNR1MAOAMAOBHIF1ACNR2
SCHEMBL4100584 0.83 CNR1 (0.51) CNR1HIF1AALDH1A1CYP17A1XDH
SCHEMBL4104142 0.81 MAOA (0.42) CNR1MAOAMAOBHIF1ACNR2
SCHEMBL4512837 0.81 CNR1 (0.46) CNR1HIF1ACNR2ALDH1A1CYP17A1
SCHEMBL4524872 0.80 CNR1 (0.45) CNR1HIF1ACNR2ALDH1A1CYP17A1
SCHEMBL4109181 0.77 ALDH1A1 (0.36) MAOAMAOBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4522018 0.76 CNR1 (0.46) CNR1HIF1ACNR2ALDH1A1CYP17A1
SCHEMBL4531198 0.75 CNR1 (0.43) CNR1HIF1ACNR2ALDH1A1LMNA
SCHEMBL4514911 0.75 CNR1 (0.46) CNR1HIF1AALDH1A1CYP17A1

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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 US claimed
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 CNR1 30/4885MAOA 3635/4885MAOB 3390/4885

“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.