SCHEMBL9891749

SCHEMBL9891749

CC(C)(C)C1CCC(=O)N1c1ccc(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CHRNA7 P36544 1/20 0.34
CNR2 P34972 1/20 0.34
SRD5A1 P18405 1/20 0.33
NOTUM Q6P988 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.31
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30

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
SCHEMBL16480417 0.80 L3MBTL1 (0.37) CYP2D6CHRNA7CNR2SRD5A1NOTUM
SCHEMBL9893008 0.77 NOTUM (0.35) CYP2D6CHRNA7CNR2SRD5A1NOTUM
SCHEMBL9107566 0.73 MMP8 (0.43) CYP2D6CHRNA7CNR2L3MBTL1
SCHEMBL9110142 0.73 MMP8 (0.43) CYP2D6CHRNA7CNR2L3MBTL1
SCHEMBL9891736 0.70 ALDH1A1 (0.41) SRD5A1NOTUMPTGER3PTGER2
SCHEMBL9891746 0.68 CNR2 (0.45) CNR2PTGER3PTGER2
SCHEMBL9891750 0.68 NOTUM (0.50) SRD5A1NOTUM
SCHEMBL9891743 0.66 PTGER2 (0.36) CNR2L3MBTL1PTGER3PTGER2
SCHEMBL16253054 0.66 CNR2 (0.47) CNR2SRD5A1
SCHEMBL9891747 0.66 CNR2 (0.47) CNR2SRD5A1NOTUML3MBTL1PTGER3

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 CYP2D6 1472/4885CHRNA7 321/4885CNR2 1/4885

“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.