SCHEMBL9893023

SCHEMBL9893023

CCC1CCC(=O)N1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
PTGER2 P43116 6/20 0.42
PTGER3 P43115 4/20 0.42
CYP3A4 P08684 2/20 0.40
CNR2 P34972 1/20 0.40
HSD11B1 P28845 1/20 0.40
PTGDR Q13258 4/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MEN1 O00255 1/20 0.38
HTR7 P34969 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16422722 0.84 HDAC1 (0.49) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL9893157 0.84 PTGER2 (0.42) PER2PTGER2PTGER3PTGDRMAP4K1
SCHEMBL16422286 0.84 TDP1 (0.44) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL16422287 0.84 TDP1 (0.44) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL16423189 0.84 TDP1 (0.44) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL16422721 0.84 HDAC1 (0.49) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL16423061 0.84 HDAC1 (0.49) PER2TDP1PTGER2PTGER3CYP3A4
SCHEMBL9892975 0.83 PTGER2 (0.44) PTGER2PTGER3PTGDRCYP2C9MEN1
SCHEMBL9892985 0.83 PTGER2 (0.48) PER2PTGER2PTGER3CNR2PTGDR
SCHEMBL9892976 0.81 PTGER2 (0.41) PER2PTGER2PTGER3PTGDRALDH1A1

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 PER2 1447/4885TDP1 4464/4885PTGER2 186/4885

“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.