SCHEMBL9106214

SCHEMBL9106214

CN(C(=O)OC(C)(C)C)c1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
PTGER2 P43116 3/20 0.39
PTGER3 P43115 2/20 0.39
CNR2 P34972 7/20 0.38
PHGDH O43175 1/20 0.38
PAX8 Q06710 1/20 0.37
PTGDR Q13258 2/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL2572517 1.00 HDAC6 (0.39) HDAC6HDAC1HDAC8BRD4CREBBP
SCHEMBL16480414 0.86 BRD4 (0.44) HDAC6HDAC1HDAC8BRD4CREBBP
SCHEMBL9891739 0.85 BRD4 (0.39) HDAC6HDAC1HDAC8BRD4CREBBP
SCHEMBL16542478 0.83 PTGER2 (0.40) HDAC6HDAC1HDAC8PTGER2PTGER3
SCHEMBL9893043 0.83 PTGER2 (0.43) BRD4CREBBPPTGER2PTGER3PAX8
SCHEMBL9893100 0.83 PHGDH (0.37) HDAC6HDAC1HDAC8PTGER2PTGER3
SCHEMBL9103377 0.83 PHGDH (0.41) HDAC6PTGER2PTGER3CNR2PHGDH
SCHEMBL9103390 0.83 PHGDH (0.41) HDAC6PTGER2PTGER3CNR2PHGDH
SCHEMBL9102239 0.78 CNR2 (0.70) CNR2CYP2C8CYP2C9CYP2C19
SCHEMBL9102252 0.78 CNR2 (0.70) CNR2CYP2C8CYP2C9CYP2C19

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-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

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 HDAC6 1750/4885HDAC1 1767/4885HDAC8 2405/4885

“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.