SCHEMBL9893008

SCHEMBL9893008

CCC1CCC(=O)N1c1ccc(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
CYP2D6 P10635 1/20 0.34
CHRNA7 P36544 1/20 0.34
PER2 O15055 2/20 0.34
SRD5A1 P18405 1/20 0.33
PTGER2 P43116 7/20 0.33
PTGER3 P43115 5/20 0.33
PTGDR Q13258 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGER1 P34995 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.31
MAP4K1 Q92918 1/20 0.30
PSEN1 P49768 1/20 0.30

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
SCHEMBL16480417 0.80 L3MBTL1 (0.37) NOTUMCYP2D6CHRNA7PER2SRD5A1
SCHEMBL9891749 0.77 CYP2D6 (0.34) NOTUMCYP2D6CHRNA7SRD5A1PTGER2
SCHEMBL9107566 0.73 MMP8 (0.43) CYP2D6CHRNA7L3MBTL1ALDH1A1LMNA
SCHEMBL9110142 0.73 MMP8 (0.43) CYP2D6CHRNA7L3MBTL1ALDH1A1LMNA
SCHEMBL9892975 0.70 PTGER2 (0.44) NOTUMSRD5A1PTGER2PTGER3PTGDR
SCHEMBL9893157 0.68 PTGER2 (0.42) PER2PTGER2PTGER3PTGDRPTGER1
SCHEMBL9893023 0.68 PER2 (0.46) PER2PTGER2PTGER3PTGDRKDM4E
SCHEMBL9893095 0.68 NOTUM (0.50) NOTUMPER2SRD5A1BRD4
SCHEMBL16691753 0.68 MAP4K1 (0.39) NOTUMPER2PTGER2PTGER3PTGDR
SCHEMBL9892976 0.66 PTGER2 (0.41) PER2PTGER2PTGER3PTGDRPTGER1

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 NOTUM 2241/4885CYP2D6 1472/4885CHRNA7 321/4885

“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.