SCHEMBL9891506

SCHEMBL9891506

CC(C)(C)C1CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TSHR P16473 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
HSD11B1 P28845 3/20 0.39
AKR1C3 P42330 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9891875 0.91 HCRTR1 (0.49) HCRTR1HCRTR2TSHRPSEN1PSEN2
SCHEMBL9891872 0.77 PSEN1 (0.61) HCRTR1HCRTR2TSHRPSEN1PSEN2
SCHEMBL16253036 0.76 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL9891873 0.75 BRD4 (0.55) HCRTR1HCRTR2HSD11B1EPHX2MEN1
SCHEMBL16253044 0.74 MMP1 (0.59) HCRTR1HCRTR2TSHR
SCHEMBL16480428 0.72 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL6184031 0.72 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL6184028 0.71 HCRTR1 (0.51) HCRTR1HCRTR2TSHRPSEN1PSEN2
SCHEMBL1920360 0.70 LMNA (0.50) KMT2AACHENPSR1
SCHEMBL1919747 0.70 LMNA (0.50) KMT2AACHENPSR1

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
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 HCRTR1 227/4885HCRTR2 79/4885TSHR 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.