SCHEMBL9892839

SCHEMBL9892839

O=C(Nc1nc(C2CCCCC2)cs1)[C@@H]1CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.52
TMIGD3 P0DMS9 3/20 0.52
CCR2 P41597 1/20 0.50
RORC P51449 1/20 0.49
RAB9A P51151 2/20 0.47
ADORA2A P29274 2/20 0.44
IDO1 P14902 1/20 0.42
TYR P14679 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
ATAD2 Q6PL18 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 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
SCHEMBL13257151 0.95 ADORA1 (0.50) ADORA1TMIGD3CCR2RORCRAB9A
SCHEMBL16253074 0.95 ADORA1 (0.50) ADORA1TMIGD3CCR2RORCRAB9A
SCHEMBL9893178 0.80 TMIGD3 (0.61) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL11226342 0.79 ADORA1 (0.56) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9891912 0.77 ADORA1 (0.57) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9892783 0.77 RORC (0.65) ADORA1TMIGD3RORCRAB9AADORA2A
SCHEMBL9891514 0.77 ADORA1 (0.86) ADORA1TMIGD3CCR2RORCRAB9A
SCHEMBL11328692 0.76 RAB9A (0.64) RAB9AALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL9892895 0.75 LMNA (0.63) RAB9AALDH1A1ADORA3SMN1; SMN2LMNA
SCHEMBL20458175 0.75 ADORA1 (0.39) ADORA1TMIGD3CCR2RORCRAB9A

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 ADORA1 106/4885TMIGD3 953/4885CCR2 29/4885

“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.