SCHEMBL9892830

SCHEMBL9892830

CC(C)(C)c1nnc(NC(=O)[C@@H]2CCN2C2CCOCC2)s1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.87
CNR1 P21554 7/20 0.51
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
PTGER3 P43115 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
SCHEMBL9892167 0.93 CNR2 (1.00) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL13256991 0.92 CNR2 (0.94) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL9892062 0.84 CNR2 (0.70) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL9892170 0.84 CNR2 (0.85) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL13256830 0.83 CNR2 (0.79) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL9892171 0.83 CNR2 (0.83) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL9892168 0.83 CNR2 (0.83) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL13257833 0.83 CNR2 (0.79) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL9892172 0.82 CNR2 (0.81) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL13256835 0.82 CNR2 (0.78) CNR2CNR1TSHRMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CNR2 1/4885CNR1 2/4885TSHR 1019/4885

“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.