SCHEMBL3709103

SCHEMBL3709103

O=C(O)[C@@H]1CCCCN1C(=O)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3709107 1.00 ACE (0.54) ACEGAATSHRALDH1A1
SCHEMBL16238624 0.98 ACE (0.53) ACEGAATSHRALDH1A1
SCHEMBL16238787 0.98 ACE (0.53) ACEGAATSHRALDH1A1
SCHEMBL16238626 0.98 ACE (0.53) ACEGAATSHRALDH1A1
SCHEMBL16238789 0.98 ACE (0.53) ACEGAATSHRALDH1A1
SCHEMBL14484393 0.96 ACE (0.59) ACE
SCHEMBL5743117 0.94 ACE (0.57) ACETSHRALDH1A1
SCHEMBL21163968 0.94 ACE (0.57) ACETSHRALDH1A1
SCHEMBL21163843 0.94 ACE (0.57) ACETSHRALDH1A1
SCHEMBL5743122 0.94 ACE (0.57) ACETSHRALDH1A1

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 ACE 3829/4885GAA 4497/4885TSHR 1261/4885

“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.