SCHEMBL2384579

SCHEMBL2384579

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2OCC2CCOC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.44
▸ SCN8A Q9UQD0 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ PAK1 Q13153 1/20 0.40
▸ GRM4 Q14833 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2385128 0.86 PAK1 (0.43) TRPV1PAK1HTT
SCHEMBL2385364 0.84 CCR2 (0.41) TRPV1PAK1HTT
SCHEMBL2385060 0.81 RXFP1 (0.46) MEN1KMT2ATRPV1ALDH1A1HTT
SCHEMBL2384156 0.81 TRPV1 (0.43) TRPV1PAK1HTTNPSR1
SCHEMBL2382905 0.80 TRPV1 (0.46) TRPV1PAK1HTT
SCHEMBL12302876 0.79 TRPV1 (0.40) MEN1KMT2ATRPV1PAK1ALDH1A1
SCHEMBL2382791 0.78 TRPV1 (0.43) TRPV1HTT
SCHEMBL2382772 0.78 TRPV1 (0.49) TRPV1NPSR1
SCHEMBL2381535 0.77 TRPV1 (0.43) TRPV1ALDH1A1HTT
SCHEMBL2382932 0.77 TRPV1 (0.42) KMT2ATRPV1PAK1HTTNPSR1

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 7 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

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 IDH2 1378/4885SCN8A 4783/4885MEN1 1132/4885

“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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