SCHEMBL9893178

SCHEMBL9893178

CC(=O)Nc1nc(C2CCCCC2)cs1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.61
ADORA1 P30542 3/20 0.61
RORC P51449 1/20 0.59
RAB9A P51151 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ABL1 P00519 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16480470 0.92 ADORA1 (0.70) TMIGD3ADORA1RORCRAB9ASMN1; SMN2
SCHEMBL9891514 0.84 ADORA1 (0.86) TMIGD3ADORA1RORCRAB9API4KB
SCHEMBL9891912 0.84 ADORA1 (0.57) TMIGD3ADORA1RORCRAB9ASMN1; SMN2
SCHEMBL9892783 0.84 RORC (0.65) TMIGD3ADORA1RORCRAB9API4KB
SCHEMBL31576113 0.84 TMIGD3 (0.50) TMIGD3ADORA1RORCRAB9API4KB
SCHEMBL11226342 0.84 ADORA1 (0.56) TMIGD3ADORA1RORCRAB9ASMN1; SMN2
SCHEMBL9892839 0.80 ADORA1 (0.52) TMIGD3ADORA1RORCRAB9ASMN1; SMN2
SCHEMBL10591923 0.80 PI4KB (0.45) TMIGD3ADORA1RORCRAB9API4KB
SCHEMBL11220024 0.79 ALDH1A1 (0.60) TMIGD3ADORA1RORCRAB9ASMN1; SMN2
SCHEMBL10699121 0.79 TMIGD3 (0.51) TMIGD3ADORA1RORCRAB9ASMN1; SMN2

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 6 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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (2 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TMIGD3 814/4885ADORA1 277/4885RORC 180/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TMIGD3 1180/4885ADORA1 278/4885RORC 222/4885

“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.