SCHEMBL3591989

SCHEMBL3591989

CN1CCOc2c(NC(=O)/C=C3\CC4(CCOCC4)Oc4cc(C(F)(F)F)ccc43)cccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3591994 1.00 RAF1 (0.36) RAF1ALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL3588770 0.95 TRPV1 (0.35) ALDH1A1SMN1; SMN2TRPV1TRPM8
SCHEMBL3588769 0.95 TRPV1 (0.35) ALDH1A1SMN1; SMN2TRPV1TRPM8
SCHEMBL13545481 0.88 RAF1 (0.40) RAF1TRPV1KCNH2
SCHEMBL3594179 0.87 TRPV1 (0.42) ALDH1A1SMN1; SMN2TRPV1
SCHEMBL3594177 0.87 TRPV1 (0.42) ALDH1A1SMN1; SMN2TRPV1
SCHEMBL3594640 0.85 TRPV1 (0.36) ALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL3594637 0.85 TRPV1 (0.36) ALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL3606694 0.84 TRPV1 (0.34) TRPV1TRPM8
SCHEMBL3606697 0.84 TRPV1 (0.34) TRPV1TRPM8

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-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 1753/4885ALDH1A1 1904/4885SMN1; SMN2 1047/4885

“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.