SCHEMBL2386095

SCHEMBL2386095

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2OCc2ccncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.45
▸ NR2E1 Q9Y466 1/20 0.43
▸ KIT P10721 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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 0.89 TRPV1 (0.49) TRPV1NR2E1KITPDGFRBNPSR1
SCHEMBL2384368 0.87 TRPV1 (0.45) TRPV1NR2E1KITLMNAMAPT
SCHEMBL2386175 0.86 TRPV1 (0.47) TRPV1NR2E1KITMAPTNPSR1
SCHEMBL2382997 0.85 TRPV1 (0.44) TRPV1NR2E1LMNAMAPTNPSR1
SCHEMBL5573021 0.85 TRPV1 (0.44) TRPV1NR2E1KITLMNAMAPT
SCHEMBL2428528 0.85 TRPV1 (0.44) TRPV1NR2E1KITLMNAMAPT
SCHEMBL12250954 0.85 TRPV1 (0.43) TRPV1NR2E1LMNAMAPTPDGFRB
SCHEMBL2385236 0.85 TRPV1 (0.43) TRPV1NR2E1LMNAMAPTNPSR1
SCHEMBL2384751 0.85 TRPV1 (0.43) TRPV1NR2E1KITLMNAMAPT
SCHEMBL2383942 0.84 TRPV1 (0.44) TRPV1NR2E1KITLMNAMAPT

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 5 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-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 TRPV1 4108/4885NR2E1 2125/4885KIT 46/4885

“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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