SCHEMBL9892347

SCHEMBL9892347

CC(C)C1CCCN1CCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A1 P30531 2/20 0.33
SLC6A9 P48067 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL23331817 0.85 PLA2G10 (0.43) HRH3PLA2G10PLA2G5ALDH1A1SLC6A9
SCHEMBL16480467 0.81 HRH3 (0.55) HRH3
SCHEMBL9891878 0.79 HRH3 (0.41) HRH3ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL30085037 0.78 HRH3 (0.40) HRH3
SCHEMBL16194551 0.78 HSD17B10 (0.42) HRH3SMN1; SMN2SLC6A1
SCHEMBL9893052 0.78 TERT (0.41) HRH3ALDH1A1TSHRMEN1KMT2A
SCHEMBL15025236 0.78 HSD17B10 (0.42) HRH3SMN1; SMN2SLC6A1
SCHEMBL28071534 0.75 SLC6A1 (0.39) HRH3SLC6A1
SCHEMBL14472558 0.71 HRH3 (0.39) HRH3SLC6A1SLC6A9
SCHEMBL15723663 0.71 HSD17B10 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2A

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 HRH3 236/4885PLA2G10 1414/4885PLA2G5 853/4885

“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.