SCHEMBL13626389

SCHEMBL13626389

C[C@@H]1CCC(=O)N1c1ccc(C(O)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
PER2 O15055 6/20 0.37
PTGER2 P43116 4/20 0.37
PTGER3 P43115 1/20 0.37
ABL1 P00519 2/20 0.36
PTGER4 P35408 1/20 0.35
CNR2 P34972 3/20 0.35
PTGDR Q13258 1/20 0.35
CRY2 Q49AN0 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9892974 0.80 L3MBTL1 (0.53) CCNA2CDK2CCNA1ABL1L3MBTL1
SCHEMBL9893010 0.79 CCNA2 (0.46) CCNA2CDK2CCNA1PER2ABL1
SCHEMBL13626387 0.78 DHODH (0.47) CCNA2CDK2CCNA1PER2PTGER2
SCHEMBL13626388 0.77 PTGER2 (0.52) CCNA2CDK2CCNA1PTGER2PTGER3
SCHEMBL12112294 0.77 PTGER2 (0.52) CCNA2CDK2CCNA1PTGER2PTGER3
SCHEMBL6788699 0.77 CCNA2 (0.55) CCNA2CDK2CCNA1PTGER2CYP2C9
SCHEMBL11112763 0.77 ESR1 (0.49) CCNA2CDK2CCNA1PER2ABL1
SCHEMBL22352609 0.76 PTGER2 (0.59) CCNA2CDK2CCNA1PTGER2PTGER3
SCHEMBL13626386 0.76 PTGER2 (0.59) CCNA2CDK2CCNA1PTGER2PTGER3
SCHEMBL4636834 0.75 GAA (0.46) CCNA2CDK2CCNA1ABL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 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-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB CCNA2 1927/4885CDK2 3449/4885CCNA1 1580/4885

“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.