SCHEMBL2382762

SCHEMBL2382762

CC1CN(c2nccnc2OCc2ccncc2)CC(C)N1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.55
▸ KDR P35968 4/20 0.42
▸ FLT1 P17948 2/20 0.42
▸ F10 P00742 1/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ CHRM4 P08173 2/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KIT P10721 2/20 0.36
▸ ELOVL6 Q9H5J4 1/20 0.36

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
SCHEMBL2385012 0.92 TRPV1 (0.55) TRPV1KDRFLT1F10EPHB4
SCHEMBL2384143 0.90 TRPV1 (0.52) TRPV1KDRFLT1F10EPHB4
SCHEMBL2385230 0.89 TRPV1 (0.57) TRPV1CHRM4KIT
SCHEMBL2381611 0.89 TRPV1 (0.57) TRPV1CHRM4KIT
SCHEMBL2384249 0.84 TRPV1 (0.56) TRPV1KDRFLT1
SCHEMBL2382673 0.83 TRPV1 (0.42) TRPV1KDRFLT1F10EPHB4
SCHEMBL2383360 0.83 TRPV1 (0.52) TRPV1KIT
SCHEMBL2382825 0.83 TRPV1 (0.51) TRPV1KDRFLT1F10EPHB4
SCHEMBL2383930 0.82 TRPV1 (0.44) TRPV1KDRF10CACNA1GCACNA1H
SCHEMBL2385139 0.81 TRPV1 (0.57) TRPV1KDRFLT1F10EPHB4

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 4108/4885KDR 3/4885FLT1 5/4885

“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.

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