SCHEMBL3708334

SCHEMBL3708334

NC(=O)c1nc(C2CCCCC2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.42
TMIGD3 P0DMS9 2/20 0.40
ADORA1 P30542 2/20 0.40
RORC P51449 1/20 0.39
KMO O15229 1/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
NPC1 O15118 3/20 0.37
IDO1 P14902 1/20 0.37
CDC7 O00311 1/20 0.36
TYR P14679 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4769460 0.98 TMIGD3 (0.41) C1STMIGD3ADORA1RORCKMO
SCHEMBL31135495 0.95 ADORA1 (0.41) C1STMIGD3ADORA1RORCMAPT
SCHEMBL2678119 0.91 ADORA1 (0.46) C1STMIGD3ADORA1MAPTRAB9A
SCHEMBL15499883 0.86 RORC (0.42) C1STMIGD3ADORA1RORCRAB9A
SCHEMBL20389483 0.86 RORC (0.42) C1STMIGD3ADORA1RORCRAB9A
SCHEMBL18811614 0.86 RORC (0.42) C1STMIGD3ADORA1RORCRAB9A
SCHEMBL5774108 0.84 HRH4 (0.41) TMIGD3ADORA1MAPTRAB9AMEN1
SCHEMBL29488949 0.84 MAPK1 (0.39) TMIGD3ADORA1MAPTRAB9AMEN1
SCHEMBL14811149 0.80 TMIGD3 (0.38) C1STMIGD3ADORA1RORCKMO
SCHEMBL20764932 0.78 UCHL1 (0.43) TMIGD3ADORA1MAPTRAB9AMEN1

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-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
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
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 C1S 2228/4885TMIGD3 814/4885ADORA1 277/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 C1S 3372/4885TMIGD3 1180/4885ADORA1 278/4885

“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.