SCHEMBL9893020

SCHEMBL9893020

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.42
PTGER3 P43115 7/20 0.42
PTGER4 P35408 1/20 0.38
MDM2 Q00987 1/20 0.38
PTGDR Q13258 7/20 0.37
SRD5A1 P18405 2/20 0.37
MAP4K1 Q92918 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL9893043 0.83 PTGER2 (0.43) PTGER2PTGER3PTGER4PTGDR
SCHEMBL16480399 0.82 CCNA2 (0.40) PTGER2PTGER3MDM2POLBSMN1; SMN2
SCHEMBL9103377 0.80 PHGDH (0.41) PTGER2PTGER3SMN1; SMN2ALDH1A1MAPT
SCHEMBL9103390 0.80 PHGDH (0.41) PTGER2PTGER3SMN1; SMN2ALDH1A1MAPT
SCHEMBL9893019 0.79 PTGER2 (0.37) PTGER2PTGER3PTGER4PTGDRMAP4K1
SCHEMBL9891744 0.79 SMN1; SMN2 (0.38) PTGER2PTGER3MDM2PTGDRPOLB
SCHEMBL9893023 0.76 PER2 (0.46) PTGER2PTGER3PTGDRMAP4K1ALDH1A1
SCHEMBL9893157 0.76 PTGER2 (0.42) PTGER2PTGER3PTGER4PTGDRMAP4K1
SCHEMBL6789962 0.76 PTGER2 (0.49) PTGER2PTGER3PTGER4PTGDRPOLB
SCHEMBL9892975 0.75 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDRSRD5A1

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 200/4885PTGER4 118/4885

“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.