SCHEMBL3595769

SCHEMBL3595769

CN1c2cccc(NC(=O)/C=C3\CCCOc4cc(C(F)(F)F)ccc43)c2CCS1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.44
KCNQ2 O43526 2/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPY5R Q15761 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3595772 1.00 TRPV1 (0.44) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3604379 0.85 TRPV1 (0.43) TRPV1ALDH1A1
SCHEMBL3604382 0.85 TRPV1 (0.43) TRPV1ALDH1A1
SCHEMBL3601659 0.84 TRPV1 (0.37) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3601660 0.84 TRPV1 (0.37) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3601817 0.84 TRPV1 (0.36) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3601813 0.84 TRPV1 (0.36) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3593922 0.83 TRPV1 (0.63) TRPV1
SCHEMBL1451605 0.83 TRPV1 (0.42) TRPV1KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL3593924 0.83 TRPV1 (0.63) TRPV1

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 TRPV1 2518/4885KCNQ2 1706/4885CTSD 4223/4885

“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.