SCHEMBL2385060

SCHEMBL2385060

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2OCCN2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ EPHX2 P34913 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PDGFRB P09619 4/20 0.44
▸ RAF1 P04049 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ TRPV1 Q8NER1 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
SCHEMBL2382791 0.92 TRPV1 (0.43) RXFP1HTTPDGFRBFLT3TRPV1
SCHEMBL12302306 0.86 TRPV1 (0.44) RXFP1MEN1KMT2APDGFRBALDH1A1
SCHEMBL12250963 0.85 SLC6A2 (0.43) RXFP1SLC6A2HTR2AOPRK1HTR2B
SCHEMBL2386608 0.83 PDGFRB (0.46) NPSR1PDGFRBTRPV1
SCHEMBL2384579 0.81 IDH2 (0.44) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL2382905 0.81 TRPV1 (0.46) HTTTRPV1
SCHEMBL2385761 0.81 ALDH1A1 (0.41) KCNH2MEN1KMT2AALDH1A1TRPV1
SCHEMBL2384156 0.80 TRPV1 (0.43) HTTNPSR1TRPV1
SCHEMBL2382772 0.79 TRPV1 (0.49) NPSR1PDGFRBTRPV1
SCHEMBL12251015 0.79 TRPV1 (0.41) SLC6A2HTR2AOPRK1HTR2BSLC6A3

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 RXFP1 1413/4885SLC6A2 2845/4885HTR2A 2212/4885

“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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