SCHEMBL9891849

SCHEMBL9891849

CC(C)(C)C1CCCN1C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
LMNA P02545 1/20 0.34
LIPE Q05469 1/20 0.33
DPP4 P27487 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16252997 0.95 CNR2 (0.47) CNR2LIPEALDH1A1
SCHEMBL9891498 0.90 CNR2 (0.40) CNR2LIPECYP2D6KCNH2HRH3
SCHEMBL22541590 0.85 ALDH1A1 (0.44) CNR2LMNADPP4CYP2D6KCNH2
SCHEMBL16253016 0.80 ALDH1A1 (0.43) CNR2LIPECYP2D6KCNH2HRH3
SCHEMBL9891865 0.79 MEN1 (0.46) CNR2DPP4
SCHEMBL16480409 0.79 CNR2 (0.44) CNR2LIPEALDH1A1
SCHEMBL16253021 0.76 CNR2 (0.46) CNR2CYP2D6KCNH2HRH3ALDH1A1
SCHEMBL22541593 0.75 DPP4 (0.36) LMNADPP4CYP2D6KCNH2HRH3
SCHEMBL9893028 0.75 CNR2 (0.44) CNR2KCNH2HRH3ALDH1A1
SCHEMBL16252998 0.75 CNR2 (0.47) CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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 1/4885LMNA 4696/4885LIPE 2379/4885

“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.