SCHEMBL3718786

SCHEMBL3718786

O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
CA2 P00918 1/20 0.60
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 1/20 0.54
CNR2 P34972 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HSD11B1 P28845 1/20 0.51
KMT2A Q03164 1/20 0.50
DGAT1 O75907 1/20 0.49

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
SCHEMBL3718790 1.00 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL5537767 0.87 CA2 (0.75) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL6787910 0.87 CA2 (0.75) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL13804257 0.87 CNR2 (0.57) TDP1L3MBTL1ALDH1A1GAAHPGD
SCHEMBL3575901 0.86 TDP1 (0.66) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL3575904 0.86 TDP1 (0.66) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL3706608 0.85 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL3706606 0.85 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL5035705 0.84 TDP1 (0.64) TDP1L3MBTL1CA2ALDH1A1GAA
SCHEMBL5035699 0.84 TDP1 (0.64) TDP1L3MBTL1CA2ALDH1A1GAA

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-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-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 (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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TDP1 4794/4885L3MBTL1 4308/4885CA2 2854/4885

“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.