SCHEMBL9891777

SCHEMBL9891777

CC(C)C1CCC(=O)N1c1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.39
PTGER2 P43116 3/20 0.38
PTGER3 P43115 1/20 0.35
PTGDR Q13258 1/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
CHKA P35790 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9891752 0.87 ALDH1A1 (0.40) PTGER2DDB1CRBNPOLBNPSR1
SCHEMBL9891776 0.85 PTGER2 (0.35) PTGER2PTGER3PTGDR
SCHEMBL9891775 0.83 PTGER2 (0.39) PTGER2PTGER3PTGDR
SCHEMBL9891751 0.81 GAA (0.42) POLBGAA
SCHEMBL9893056 0.80 CCNA2 (0.41) PTGER2PTGER3PTGDRVHLELOC
SCHEMBL9891753 0.80 L3MBTL1 (0.47) PTGER2DDB1CRBN
SCHEMBL9891731 0.80 CNR2 (0.42) MDM2TSHR
SCHEMBL24434658 0.80 SRD5A1 (0.39)
SCHEMBL9891771 0.78 L3MBTL1 (0.36) IDH1PTGER2
SCHEMBL9891754 0.78 POLB (0.50) POLB

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 IDH1 4245/4885PTGER2 186/4885PTGER3 200/4885

“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.