SCHEMBL9893028

SCHEMBL9893028

CCC1CCCN1C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
DAGLA Q9Y4D2 3/20 0.38
KMT2A Q03164 2/20 0.37
ABHD11 Q8NFV4 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12204157 0.81 L3MBTL1 (0.41) L3MBTL1POLBMAPTKCNH2HRH3
SCHEMBL9893038 0.79 MEN1 (0.46) CNR2L3MBTL1POLBMAPTALDH1A1
SCHEMBL8520603 0.79 CA2 (0.46) L3MBTL1POLBMAPTKCNH2HRH3
SCHEMBL16480409 0.79 CNR2 (0.44) CNR2ALDH1A1
SCHEMBL28070422 0.76 KMT2A (0.53) L3MBTL1MAPTALDH1A1KDM4EDAGLA
SCHEMBL9891849 0.75 CNR2 (0.46) CNR2KCNH2HRH3ALDH1A1
SCHEMBL9107274 0.74 CNR2 (0.48) CNR2
SCHEMBL16254904 0.74 HPGD (0.46) CNR2POLBALDH1A1SMN1; SMN2
SCHEMBL10118444 0.72 POLB (0.48) L3MBTL1POLBMAPTALDH1A1KMT2A
SCHEMBL2073337 0.72 L3MBTL1 (0.48) L3MBTL1POLBMAPTALDH1A1KDM4E

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 CNR2 1/4885L3MBTL1 4514/4885POLB 2879/4885

“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.