SCHEMBL4430316

SCHEMBL4430316

CC1(C)CCN(C(=O)C(F)(F)F)c2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
P2RY1 P47900 2/20 0.38
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NR1H2 P55055 2/20 0.34
RORC P51449 2/20 0.33
NR1I2 O75469 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 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
SCHEMBL6223920 0.84 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL397583 0.83 RARB (0.40) BRD4ATAD2RARARARBRARG
SCHEMBL4872561 0.83 NOTUM (0.44) BRD4ATAD2RARARARBRARG
SCHEMBL4425583 0.82 FFAR4 (0.38) CA12CA1CA2CA7CA9
SCHEMBL399420 0.80 NR1H2 (0.51) BRD4ATAD2RARARARBRARG
SCHEMBL3788762 0.77 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL2081974 0.76 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL394831 0.76 NOTUM (0.42) BRD4ATAD2RARARARBRARG
SCHEMBL7878918 0.75 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL3716019 0.75 HDAC1 (0.42) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 CA12 3517/4885CA1 3798/4885CA2 1182/4885

“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.