SCHEMBL4104142

SCHEMBL4104142

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
CNR1 P21554 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAT2A P31153 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HIF1A Q16665 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33
CNR2 P34972 1/20 0.33
TRPC1 P48995 1/20 0.33
TRPC4 Q9UBN4 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 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
SCHEMBL4093553 0.95 MAOA (0.43) MAOAMAOBCNR1SMN1; SMN2ALDH1A1
SCHEMBL4104374 0.91 ALDH1A1 (0.35) MAOAMAOBSMN1; SMN2ALDH1A1LMNA
SCHEMBL4109181 0.85 ALDH1A1 (0.36) MAOAMAOBSMN1; SMN2ALDH1A1LMNA
SCHEMBL4517383 0.84 CNR1 (0.37) MAOAMAOBCNR1LMNAMAT2A
SCHEMBL4518633 0.83 CNR1 (0.36) MAOAMAOBCNR1LMNAMAT2A
SCHEMBL4099332 0.83 CNR1 (0.41) MAOAMAOBCNR1SMN1; SMN2ALDH1A1
SCHEMBL4107328 0.83 MAOB (0.40) MAOAMAOBCNR1SMN1; SMN2HIF1A
SCHEMBL5445254 0.82 MAOA (0.41) MAOAMAOBCNR1MAT2ATSHR
SCHEMBL4525318 0.82 CNR1 (0.38) MAOAMAOBCNR1LMNAMAT2A
SCHEMBL4093348 0.82 CTSS (0.39) MAOAMAOB

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 MAOA 3635/4885MAOB 3390/4885CNR1 30/4885

“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.