SCHEMBL3601007

SCHEMBL3601007

O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1OCCN2CCCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
KCNQ2 O43526 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
TRPV1 Q8NER1 4/20 0.31
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3601008 1.00 CYSLTR2 (0.35) CYSLTR2CYSLTR1KCNQ2TRPM8TRPV1
SCHEMBL3606697 0.96 TRPV1 (0.34) CYSLTR2CYSLTR1KCNQ2TRPM8TRPV1
SCHEMBL3606694 0.96 TRPV1 (0.34) CYSLTR2CYSLTR1KCNQ2TRPM8TRPV1
SCHEMBL3605280 0.89 TRPV1 (0.40) CYSLTR2CYSLTR1KCNQ2TRPV1ALDH1A1
SCHEMBL3605282 0.89 TRPV1 (0.40) CYSLTR2CYSLTR1KCNQ2TRPV1ALDH1A1
SCHEMBL3588769 0.88 TRPV1 (0.35) KCNQ2TRPM8TRPV1MEN1ALDH1A1
SCHEMBL3588770 0.88 TRPV1 (0.35) KCNQ2TRPM8TRPV1MEN1ALDH1A1
SCHEMBL3597684 0.87 CYSLTR2 (0.37) CYSLTR2CYSLTR1TRPV1ALDH1A1
SCHEMBL3597686 0.87 CYSLTR2 (0.37) CYSLTR2CYSLTR1TRPV1ALDH1A1
SCHEMBL3587921 0.87 TP53 (0.38) TRPM8TRPV1MEN1MAPTKMT2A

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 CYSLTR2 1366/4885CYSLTR1 1492/4885KCNQ2 1706/4885

“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.