SCHEMBL9891771

SCHEMBL9891771

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
HSD11B1 P28845 2/20 0.34
PTGER2 P43116 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
IDH1 O75874 1/20 0.33
PHGDH O43175 1/20 0.33
PTGER4 P35408 1/20 0.32

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
SCHEMBL9891753 0.88 L3MBTL1 (0.47) L3MBTL1TDP1CCNA2CDK2CCNA1
SCHEMBL9891751 0.83 GAA (0.42)
SCHEMBL9893010 0.81 CCNA2 (0.46) L3MBTL1TDP1CCNA2CDK2CCNA1
SCHEMBL9891731 0.81 CNR2 (0.42) TDP1ALDH1A1
SCHEMBL24434658 0.81 SRD5A1 (0.39) ALDH1A1
SCHEMBL9891776 0.81 PTGER2 (0.35) TDP1PTGER2
SCHEMBL9891754 0.79 POLB (0.50) L3MBTL1TDP1HSD11B1ALDH1A1CYP1A2
SCHEMBL9891752 0.79 ALDH1A1 (0.40) TDP1PTGER2ALDH1A1CYP1A2
SCHEMBL9891772 0.78 BPTF (0.39)
SCHEMBL9891765 0.78 CACNA1B (0.35) PTGER2ALDH1A1

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 L3MBTL1 4514/4885TDP1 4464/4885CCNA2 2114/4885

“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.