SCHEMBL9891753

SCHEMBL9891753

CC(C)c1ccc(N2C(=O)CCC2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MGLL Q99685 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGER2 P43116 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
DHODH Q02127 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
SCHEMBL9891771 0.88 L3MBTL1 (0.36) L3MBTL1CCNA2CDK2CCNA1TDP1
SCHEMBL9891731 0.87 CNR2 (0.42) KMT2AMEN1MAPTTDP1
SCHEMBL9891751 0.85 GAA (0.42) KMT2AMEN1
SCHEMBL24434658 0.83 SRD5A1 (0.39) KMT2AMEN1MCOLN3
SCHEMBL9892974 0.82 L3MBTL1 (0.53) L3MBTL1MGLLKMT2AMEN1MAPT
SCHEMBL9891754 0.81 POLB (0.50) L3MBTL1KMT2AMEN1TDP1
SCHEMBL9891752 0.81 ALDH1A1 (0.40) MGLLKMT2AMEN1DDB1CRBN
SCHEMBL9891776 0.80 PTGER2 (0.35) TDP1PTGER2
SCHEMBL9891759 0.80 SLC6A2 (0.49) KMT2AMEN1
SCHEMBL9891765 0.80 CACNA1B (0.35) KMT2APTGER2

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 4514/4885MGLL 1818/4885KMT2A 3551/4885

“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.