SCHEMBL2386439

SCHEMBL2386439

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccnc2OCc2ccnc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.49
MAPK10 P53779 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL2383360 0.91 TRPV1 (0.52) TRPV1NR2E1NPSR1HSD17B10KIT
SCHEMBL2383817 0.90 TRPV1 (0.48) TRPV1NR2E1NPSR1KDM4EMAPT
SCHEMBL2384319 0.90 TRPV1 (0.49) TRPV1NR2E1NPSR1KDM4EMAPT
SCHEMBL2382754 0.89 TRPV1 (0.45) TRPV1MAPK10NR2E1NPSR1MAPT
SCHEMBL2384912 0.88 TRPV1 (0.49) TRPV1NR2E1NPSR1KDM4EMAPT
SCHEMBL2385592 0.83 TRPV1 (0.55) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2385038 0.82 TRPV1 (0.48) TRPV1NR2E1NPSR1KDM4EMAPT
SCHEMBL2382772 0.80 TRPV1 (0.49) TRPV1MAPK10NR2E1NPSR1HSD17B10
SCHEMBL2385717 0.80 TRPV1 (0.52) TRPV1NPSR1KDM4EMAPTHSD17B10
SCHEMBL2385265 0.80 TRPV1 (0.45) TRPV1NR2E1NPSR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR TRPV1 4108/4885MAPK10 409/4885NR2E1 2125/4885

“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.