SCHEMBL9892929

SCHEMBL9892929

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.49
▸ GRM4 Q14833 1/20 0.48
▸ KDR P35968 9/20 0.46
▸ BRAF P15056 4/20 0.46
▸ PSMB8 P28062 1/20 0.44
▸ ULK1 O75385 1/20 0.43
▸ UBE2M P61081 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 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
SCHEMBL13256817 0.92 ULK1 (0.53) ARGRM4KDRBRAFPSMB8
SCHEMBL9892891 0.89 EPHX2 (0.52) KDRPSMB8ULK1
SCHEMBL22644328 0.84 AR (0.47) ARGRM4KDRBRAFUBE2M
SCHEMBL13256812 0.82 ULK1 (0.53) KDRPSMB8ULK1
SCHEMBL29640005 0.80 KDR (0.57) GRM4KDRPSMB8ULK1
SCHEMBL31421815 0.79 ULK1 (0.52) PSMB8ULK1
SCHEMBL26696301 0.78 AR (0.46) ARGRM4KDRBRAFUBE2M
SCHEMBL5383096 0.78 AR (0.46) ARGRM4KDRBRAFUBE2M
SCHEMBL29640015 0.78 PSMB8 (0.57) KDRPSMB8ULK1
SCHEMBL31122474 0.78 PSMB8 (0.57) KDRPSMB8ULK1

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 AR 631/4885GRM4 529/4885KDR 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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