SCHEMBL9892974

SCHEMBL9892974

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
MGLL Q99685 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MAPT P10636 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9893010 0.85 CCNA2 (0.46) L3MBTL1CCNA2CDK2CCNA1SLC6A2
SCHEMBL6788699 0.83 CCNA2 (0.55) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL30912518 0.83 ALDH1A1 (0.42) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL30912507 0.83 ALDH1A1 (0.42) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL22658820 0.83 SLC6A2 (0.46) L3MBTL1CCNA2CDK2CCNA1KMT2A
SCHEMBL25416662 0.83 ALDH1A1 (0.42) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL9893145 0.83 SLC6A2 (0.46) L3MBTL1CCNA2CDK2CCNA1KMT2A
SCHEMBL9891753 0.82 L3MBTL1 (0.47) L3MBTL1CCNA2CDK2CCNA1MGLL
SCHEMBL4636834 0.81 GAA (0.46) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL13626389 0.80 CCNA2 (0.45) L3MBTL1CCNA2CDK2CCNA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 4514/4885CCNA2 2114/4885CDK2 670/4885

“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.