SCHEMBL9892983

SCHEMBL9892983

CCC1CCC(=O)N1c1ccc(C(=O)NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.46
PTGER3 P43115 3/20 0.46
PLK1 P53350 5/20 0.43
PTGER4 P35408 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGDR Q13258 4/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K1 Q92918 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9893047 0.85 MEN1 (0.54) PTGER2HDAC8HDAC6MAP4K1MEN1
SCHEMBL16480487 0.82 HDAC2 (0.46) PLK1HDAC2HDAC8HDAC6MEN1
SCHEMBL9103589 0.81 PHGDH (0.47) PTGER2PTGER3HDAC2HDAC8HDAC6
SCHEMBL9103598 0.81 PHGDH (0.47) PTGER2PTGER3HDAC2HDAC8HDAC6
SCHEMBL9892976 0.80 PTGER2 (0.41) PTGER2PTGER3PTGER4PTGDRMAP4K1
SCHEMBL16542445 0.78 HDAC2 (0.42) PLK1HDAC2HDAC8HDAC6MEN1
SCHEMBL9891740 0.78 HDAC6 (0.42) PTGER2PTGER3HDAC2HDAC8HDAC6
SCHEMBL9893023 0.77 PER2 (0.46) PTGER2PTGER3PTGDRMAP4K1MEN1
SCHEMBL9893157 0.77 PTGER2 (0.42) PTGER2PTGER3PTGER4PTGDRMAP4K1
SCHEMBL6789962 0.77 PTGER2 (0.49) PTGER2PTGER3PTGER4PTGDRHSD17B10

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 200/4885PLK1 2361/4885

“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.