SCHEMBL9892891

SCHEMBL9892891

O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@@H]1CCN1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.52
▸ PSMB8 P28062 2/20 0.44
▸ KDR P35968 1/20 0.43
▸ ULK1 O75385 1/20 0.43
▸ KHK P50053 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ TRPV1 Q8NER1 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
SCHEMBL13256812 0.92 ULK1 (0.53) EPHX2PSMB8KDRULK1
SCHEMBL9892929 0.89 AR (0.49) PSMB8KDRULK1
SCHEMBL2572174 0.82 EPHX2 (0.46) EPHX2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL13256817 0.82 ULK1 (0.53) PSMB8KDRULK1KHK
SCHEMBL21669976 0.79 ULK1 (0.54) EPHX2ULK1KHK
SCHEMBL29640015 0.78 PSMB8 (0.57) PSMB8KDRULK1KHK
SCHEMBL31122474 0.78 PSMB8 (0.57) PSMB8KDRULK1KHK
SCHEMBL29640005 0.77 KDR (0.57) EPHX2PSMB8KDRULK1TRPV1
SCHEMBL31260645 0.76 KMT2A (0.53) PSMB8
SCHEMBL31421815 0.76 ULK1 (0.52) PSMB8ULK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 — — EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 — — US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — US disclosed
WO-2010147791-A1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-23 — — 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX2 1060/4885PSMB8 3367/4885KDR 952/4885

“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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