SCHEMBL3709752

SCHEMBL3709752

O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3709754 1.00 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL13804261 0.88 ALDH1A1 (0.51) L3MBTL1ALDH1A1
SCHEMBL6787214 0.86 CA2 (0.59)
SCHEMBL6787220 0.86 CA2 (0.59)
SCHEMBL3575901 0.84 TDP1 (0.66) L3MBTL1ALDH1A1TDP1
SCHEMBL3575904 0.84 TDP1 (0.66) L3MBTL1ALDH1A1TDP1
SCHEMBL12261961 0.84 TDP1 (0.53) L3MBTL1TDP1
SCHEMBL13468540 0.84 HPGD (0.57) L3MBTL1TDP1
SCHEMBL3718790 0.83 TDP1 (0.65) L3MBTL1ALDH1A1TDP1
SCHEMBL3718786 0.83 TDP1 (0.65) L3MBTL1ALDH1A1TDP1

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 L3MBTL1 4308/4885ALDH1A1 2533/4885KDM4E 2973/4885

“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.