SCHEMBL4425612

SCHEMBL4425612

CC1(C)CCN(C(=O)C(F)(F)F)c2c1ccc(N)c2Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.35
MEN1 O00255 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B2 P19099 1/20 0.32
RORC P51449 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL4430316 0.75 CA12 (0.39) P2RY1MEN1TNNI3TNNT2TNNC1
SCHEMBL6223920 0.70 CA12 (0.36) P2RY1MEN1KMT2ARORCCA12
SCHEMBL7653609 0.69 ESR1 (0.36) ESR1ESR2
SCHEMBL3788762 0.68 CA12 (0.40) P2RY1MEN1KMT2ARORCCA12
SCHEMBL4425583 0.68 FFAR4 (0.38) CA12CA1CA2CA7CA9
SCHEMBL5780776 0.68 NOTUM (0.48) CYP11B2CA12CA1CA2CA7
SCHEMBL3716019 0.67 HDAC1 (0.42) RORCCA12CA1CA2CA7
SCHEMBL7878918 0.64 CA12 (0.36) P2RY1MEN1KMT2ARORCCA12
SCHEMBL3799829 0.63 RARA (0.36) P2RY1RORCCA12CA1CA2
SCHEMBL6600846 0.63 ESR1 (0.56) 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 P2RY1 139/4885MEN1 3527/4885TNNI3 1141/4885

“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.