SCHEMBL9891955

SCHEMBL9891955

CC(C)(C)C1CCC(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.56
P2RX7 Q99572 5/20 0.47
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ACKR3 P25106 1/20 0.44
ALOX12 P18054 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9891953 0.84 CNR2 (0.53) CNR2P2RX7BLMKMT2AALOX12
SCHEMBL10131418 0.79 CNR2 (0.43) CNR2P2RX7KMT2ACYP2C8CYP2C9
SCHEMBL9891965 0.78 CNR2 (0.54) CNR2BLMKMT2AACKR3ALOX12
SCHEMBL10112854 0.78 CNR2 (0.42) CNR2P2RX7KMT2ACYP2C8CYP2C9
SCHEMBL9891939 0.76 CNR2 (0.48) CNR2P2RX7BLMKMT2AALOX12
SCHEMBL9106563 0.75 P2RX7 (0.64) CNR2P2RX7KMT2A
SCHEMBL16542499 0.75 CNR2 (0.55) CNR2P2RX7CYP2C8CYP2C9CYP2C19
SCHEMBL31439851 0.74 CNR2 (0.54) CNR2P2RX7
SCHEMBL9891961 0.73 CNR2 (0.54) CNR2P2RX7HDAC6
SCHEMBL2572997 0.73 CNR2 (0.52) CNR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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
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 CNR2 1/4885P2RX7 26/4885BLM 4869/4885

“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.