SCHEMBL9893043

SCHEMBL9893043

CCC1CCC(=O)N1c1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.43
PTGER3 P43115 6/20 0.43
PTGDR Q13258 6/20 0.40
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.38
PTGER4 P35408 1/20 0.37
PAX8 Q06710 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CETP P11597 1/20 0.34

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 0.85 BRD4 (0.44) PTGER2PTGER3PTGDRBRD4CREBBP
SCHEMBL9891739 0.84 BRD4 (0.39) PTGER2PTGER3PTGDRBRD4CREBBP
SCHEMBL9893020 0.83 PTGER2 (0.42) PTGER2PTGER3PTGDRPTGER4
SCHEMBL9106214 0.83 HDAC6 (0.39) PTGER2PTGER3PTGDRBRD4CREBBP
SCHEMBL2572517 0.83 HDAC6 (0.39) PTGER2PTGER3PTGDRBRD4CREBBP
SCHEMBL9893019 0.73 PTGER2 (0.37) PTGER2PTGER3PTGDRPTGER4
SCHEMBL8018111 0.72 PAX8 (0.55) BRD4CREBBPPAX8
SCHEMBL9102252 0.71 CNR2 (0.70)
SCHEMBL9893023 0.70 PER2 (0.46) PTGER2PTGER3PTGDR
SCHEMBL9893157 0.70 PTGER2 (0.42) PTGER2PTGER3PTGDRBRD4PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGER2 186/4885PTGER3 200/4885PTGDR 9/4885

“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.