SCHEMBL9892976

SCHEMBL9892976

CCC1CCC(=O)N1c1ccc(NC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 15/20 0.41
PTGER3 P43115 8/20 0.41
MAP4K1 Q92918 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGDR Q13258 8/20 0.36
PER2 O15055 1/20 0.34
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9893157 0.81 PTGER2 (0.42) PTGER2PTGER3MAP4K1PTGER4PTGDR
SCHEMBL9893023 0.81 PER2 (0.46) PTGER2PTGER3MAP4K1PTGDRPER2
SCHEMBL9892975 0.81 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDRMEN1
SCHEMBL9892983 0.80 PTGER2 (0.46) PTGER2PTGER3MAP4K1PTGER4PTGDR
SCHEMBL16480413 0.80 CCNA2 (0.41) PTGER2PTGER3MAP4K1PER2ALDH1A1
SCHEMBL9892982 0.78 PTGS2 (0.44) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9892985 0.78 PTGER2 (0.48) PTGER2PTGER3MAP4K1PTGDRPER2
SCHEMBL9892973 0.78 ELANE (0.43) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9893017 0.77 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL9891743 0.76 PTGER2 (0.36) PTGER2PTGER3PTGDRALDH1A1MEN1

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 200/4885MAP4K1 1361/4885

“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.