SCHEMBL2348587

SCHEMBL2348587

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2c1OCCN2c1ncccc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.44
MAPT P10636 2/20 0.44
KDR P35968 1/20 0.44
ABL1 P00519 8/20 0.43
GAA P10253 1/20 0.41
PGR P06401 1/20 0.40
GPR183 P32249 1/20 0.40
SMO Q99835 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2350757 0.91 KDR (0.46) P2RY1MAPTKDRABL1GAA
SCHEMBL2352600 0.90 KDR (0.45) P2RY1MAPTKDRABL1GAA
SCHEMBL2347054 0.89 P2RY1 (0.46) P2RY1MAPTKDRABL1GAA
SCHEMBL2345032 0.89 P2RY1 (0.44) P2RY1MAPTKDRABL1GAA
SCHEMBL2351862 0.89 ABCB1 (0.45) P2RY1MAPTKDRABL1GAA
SCHEMBL1549375 0.88 P2RY1 (0.46) P2RY1MAPTKDRABL1EPHX2
SCHEMBL2341901 0.88 MAPT (0.45) P2RY1MAPTKDRABL1GAA
SCHEMBL2347022 0.87 KDR (0.44) P2RY1MAPTKDRABL1KCNH2
SCHEMBL2347697 0.87 DHODH (0.48) P2RY1MAPTKDRABL1EPHX2
SCHEMBL2348490 0.87 P2RY1 (0.47) P2RY1MAPTKDRABL1EPHX2

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 P2RY1 124/4885MAPT 4135/4885KDR 482/4885

“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.