SCHEMBL2223045

SCHEMBL2223045

O=C(O)[C@@H]1CCCN1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
REN P00797 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28152243 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL2223050 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL28152132 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL9107688 0.96 ACE (0.41) ACECNR1CNR2REN
SCHEMBL1952767 0.96 ACE (0.41) ACECNR1CNR2REN
SCHEMBL3720680 0.94 CNR2 (0.40) ACECNR1CNR2
SCHEMBL3180764 0.94 CNR2 (0.40) ACECNR1CNR2
SCHEMBL4336856 0.94 CNR1 (0.42) ACECNR1CNR2
SCHEMBL15665698 0.94 CNR1 (0.42) ACECNR1CNR2
SCHEMBL3720683 0.94 CNR2 (0.40) ACECNR1CNR2

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 7 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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ACE 3990/4885CNR1 2/4885CNR2 1/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ACE 3099/4885CNR1 159/4885CNR2 238/4885

“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.