SCHEMBL3708845

SCHEMBL3708845

O=C(O)[C@@H]1CCCN1C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 2/20 0.47
ACE P12821 5/20 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
SCHEMBL3708847 1.00 MEN1 (0.48) MEN1TP53KMT2ACNR2ACE
SCHEMBL16238638 0.95 CNR2 (0.49) MEN1TP53KMT2ACNR2ACE
SCHEMBL3708395 0.95 CNR2 (0.49) MEN1TP53KMT2ACNR2ACE
SCHEMBL7686182 0.87 KMT2A (0.46) MEN1TP53KMT2ACNR2
SCHEMBL7763711 0.85 ACE (0.50) ACE
SCHEMBL7686181 0.85 MEN1 (0.47) MEN1TP53KMT2ACNR2
SCHEMBL7338310 0.84 ACE (0.49) ACE
SCHEMBL7338312 0.84 ACE (0.49) ACE
SCHEMBL31097181 0.82 ACE (0.46) ACE
SCHEMBL28101081 0.81 ACE (0.56) ACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MEN1 4874/4885TP53 4450/4885KMT2A 3551/4885

“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.