SCHEMBL9891739

SCHEMBL9891739

CN(C(=O)OC(C)(C)C)c1ccc(N2C(=O)CCC2C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
PAX8 Q06710 1/20 0.38
PTGER2 P43116 3/20 0.35
PTGER3 P43115 2/20 0.35
BRD9 Q9H8M2 1/20 0.35
MT-CO2 P00403 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGDR Q13258 2/20 0.33
CNR2 P34972 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL16480414 0.87 BRD4 (0.44) BRD4CREBBPPAX8PTGER2PTGER3
SCHEMBL9891744 0.85 SMN1; SMN2 (0.38) PTGER2PTGER3PTGDRCNR2
SCHEMBL9106214 0.85 HDAC6 (0.39) BRD4CREBBPPAX8PTGER2PTGER3
SCHEMBL2572517 0.85 HDAC6 (0.39) BRD4CREBBPPAX8PTGER2PTGER3
SCHEMBL9893043 0.84 PTGER2 (0.43) BRD4CREBBPPAX8PTGER2PTGER3
SCHEMBL9891745 0.75 LMNA (0.36) PTGER2PTGER3CNR2KMT2AMEN1
SCHEMBL8018111 0.74 PAX8 (0.55) BRD4CREBBPPAX8MT-CO2KMT2A
SCHEMBL9102239 0.73 CNR2 (0.70) CNR2
SCHEMBL9102252 0.73 CNR2 (0.70) CNR2
SCHEMBL9891746 0.72 CNR2 (0.45) PTGER2PTGER3CNR2TDP1KMT2A

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 2 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

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 BRD4 143/4885CREBBP 245/4885PAX8 1475/4885

“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.