SCHEMBL2350757

SCHEMBL2350757

O=C(O)COc1cccnc1N1CCOc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
P2RY1 P47900 6/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABL1 P00519 2/20 0.40
DHODH Q02127 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2352600 0.93 KDR (0.45) KDRP2RY1MAPTGAANPC1
SCHEMBL2345032 0.92 P2RY1 (0.44) KDRP2RY1MAPTGAAABL1
SCHEMBL2341901 0.91 MAPT (0.45) KDRP2RY1MAPTGAANPC1
SCHEMBL2347054 0.91 P2RY1 (0.46) KDRP2RY1MAPTGAAABL1
SCHEMBL2348587 0.91 P2RY1 (0.44) KDRP2RY1MAPTGAAABL1
SCHEMBL2347697 0.89 DHODH (0.48) KDRP2RY1MAPTNPC1HTT
SCHEMBL2351862 0.89 ABCB1 (0.45) KDRP2RY1MAPTGAAABL1
SCHEMBL2347022 0.87 KDR (0.44) KDRP2RY1MAPTNPC1ABL1
SCHEMBL2348490 0.87 P2RY1 (0.47) KDRP2RY1MAPTNPC1HTT
SCHEMBL1549375 0.86 P2RY1 (0.46) KDRP2RY1MAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314585-B1 Condensed benzamide compounds as inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC (JP) 2012-09-12 EP claimed
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2006-02-16 US claimed
US-8008292-B2 Condensed benzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2011-08-30 US disclosed
US-8008292-B2 Condensed benzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2011-08-30 US disclosed
US-8008292-B2 Condensed benzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2011-08-30 US disclosed
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2006-02-16 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-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY TRPV1, TRPV2, TRPA1 KDR 482/4885P2RY1 124/4885MAPT 4135/4885

“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.