SCHEMBL2386175

SCHEMBL2386175

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(c2nsnc2OCc2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NR2E1 Q9Y466 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2382772 0.97 TRPV1 (0.49) TRPV1NR2E1KITNPSR1
SCHEMBL2384936 0.94 TRPV1 (0.50) TRPV1CNR2KDM4EKITMAPT
SCHEMBL2384560 0.90 TRPV1 (0.53) TRPV1KDM4EKITMAPT
SCHEMBL2384912 0.90 TRPV1 (0.49) TRPV1CNR2KDM4EPKMNR2E1
SCHEMBL2382754 0.87 TRPV1 (0.45) TRPV1NR2E1MAPTNPSR1
SCHEMBL2385310 0.87 TRPV1 (0.44) TRPV1NR2E1KITNPSR1
SCHEMBL2384714 0.87 TRPV1 (0.44) TRPV1NR2E1MAPTNPSR1
SCHEMBL2382942 0.87 TRPV1 (0.47) TRPV1CNR2KDM4ENR2E1ALDH1A1
SCHEMBL2386074 0.86 MAPK10 (0.47) TRPV1NR2E1ALDH1A1MAPT
SCHEMBL5572976 0.86 TRPV1 (0.44) TRPV1NR2E1MAPTNPSR1

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 4108/4885CNR2 2396/4885KDM4E 486/4885

“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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