SCHEMBL2118751

SCHEMBL2118751

O=C(NC1CCCC1)c1onc(-c2ccc(C(F)(F)F)c(F)c2)c1CCl

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.65
HDAC4 P56524 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL2117779 0.92 TRPV1 (0.73) TRPV1HDAC4NPC1RAB9ATDP1
SCHEMBL2119809 0.84 TRPV1 (0.56) TRPV1HDAC4CYP11B1CYP11B2
SCHEMBL2118817 0.83 TRPV1 (0.58) TRPV1HDAC4NPC1RAB9ATDP1
SCHEMBL2118941 0.81 TRPV1 (0.51) TRPV1HDAC4CYP11B1CYP11B2
SCHEMBL2119933 0.80 TRPV1 (0.58) TRPV1HDAC4
SCHEMBL766448 0.78 TRPV1 (1.00) TRPV1
SCHEMBL1686491 0.78 TRPV1 (0.82) TRPV1
SCHEMBL766424 0.77 TRPV1 (0.79) TRPV1
SCHEMBL766582 0.77 TRPV1 (0.79) TRPV1
SCHEMBL2118948 0.77 TRPV1 (0.56) TRPV1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 TRPV1 1/4885HDAC4 879/4885NPC1 1569/4885

“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.