SCHEMBL3599786

SCHEMBL3599786

O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1OCC(=O)N2CCO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 9/20 0.33
TRPM8 Q7Z2W7 3/20 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
SCHEMBL3587921 0.96 TP53 (0.38) RAF1TP53MAPTTRPV1TRPM8
SCHEMBL3595556 0.92 TRPV1 (0.36) TP53MAPTTRPV1TRPM8
SCHEMBL3598802 0.90 TRPV1 (0.37) RAF1TP53MAPTTRPV1TRPM8
SCHEMBL3605319 0.89 TRPV1 (0.41) TP53MAPTTRPV1
SCHEMBL3591791 0.87 TRPV1 (0.36) TP53MAPTTRPV1
SCHEMBL3606697 0.86 TRPV1 (0.34) TRPV1TRPM8
SCHEMBL3606694 0.86 TRPV1 (0.34) TRPV1TRPM8
SCHEMBL3596991 0.85 TP53 (0.42) RAF1TP53MAPTTRPV1
SCHEMBL3604172 0.84 TP53 (0.41) TP53MAPTTRPV1
SCHEMBL13545481 0.84 RAF1 (0.40) RAF1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 RAF1 1753/4885TP53 3619/4885MAPT 4758/4885

“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.