SCHEMBL9891644

SCHEMBL9891644

N#Cc1ccc(N2CC[C@H]2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
KCNH2 Q12809 1/20 0.45
FFAR2 O15552 1/20 0.45
HSD11B1 P28845 1/20 0.42
NOTUM Q6P988 1/20 0.42
NR3C2 P08235 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 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
SCHEMBL6985886 0.82 NOTUM (0.60) HRH3FFAR2NOTUM
SCHEMBL5702089 0.79 NOTUM (0.49) NOTUM
SCHEMBL5702158 0.79 NOTUM (0.49) NOTUM
SCHEMBL7035832 0.78 GFER (0.41) NOTUMKDM4ETP53
SCHEMBL4770098 0.78 NOTUM (0.38) NOTUM
SCHEMBL9891645 0.78 NOTUM (0.53) HRH3HSD11B1NOTUMKDM4ETP53
SCHEMBL20458161 0.78 NOTUM (0.53) HRH3HSD11B1NOTUMKDM4ETP53
SCHEMBL13015198 0.78 GFER (0.41) NOTUMKDM4ETP53
SCHEMBL2121761 0.78 NOTUM (0.53) NOTUM
SCHEMBL2121764 0.78 NOTUM (0.53) NOTUM

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
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-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
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HRH3 153/4885KCNH2 825/4885FFAR2 73/4885

“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.