SCHEMBL13626391

SCHEMBL13626391

C[C@@H]1CCC(=O)N1c1ccc(C2(O)CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
SYK P43405 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
MAP4K1 Q92918 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC18A3 Q16572 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
SCHEMBL11112763 0.77 ESR1 (0.49) ABL1CCNA2CDK2CCNA1HRH3
SCHEMBL4636834 0.75 GAA (0.46) ABL1CCNA2CDK2CCNA1MEN1
SCHEMBL25416662 0.73 ALDH1A1 (0.42) ABL1CCNA2CDK2CCNA1HRH3
SCHEMBL30912507 0.73 ALDH1A1 (0.42) ABL1CCNA2CDK2CCNA1HRH3
SCHEMBL30912518 0.73 ALDH1A1 (0.42) ABL1CCNA2CDK2CCNA1HRH3
SCHEMBL10131414 0.73 CYP3A4 (0.41) ABL1CCNA2CDK2CCNA1HRH3
SCHEMBL9893145 0.73 SLC6A2 (0.46) ABL1CCNA2CDK2CCNA1MEN1
SCHEMBL16480393 0.73 TDP1 (0.47) ABL1CCNA2CDK2CCNA1MEN1
SCHEMBL22658820 0.73 SLC6A2 (0.46) ABL1CCNA2CDK2CCNA1MEN1
SCHEMBL609915 0.73 NOTUM (0.42) CCNA2CDK2CCNA1MEN1KMT2A

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 ABL1 449/4885CCNA2 1927/4885CDK2 3449/4885

“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.