SCHEMBL5659040

SCHEMBL5659040

CCOC(=O)CC1CC(N)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.39
HSD17B1 P14061 1/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL19984866 0.86 CYP1A2 (0.49) CYP1A2SIGMAR1POLBIDO1ATM
SCHEMBL13116633 0.85 CYP1A2 (0.44) CYP1A2SIGMAR1POLBIDO1ATM
SCHEMBL3315502 0.78 CYP1A2 (0.45) CYP1A2SIGMAR1POLBIDO1ATM
SCHEMBL3348647 0.78 CYP1A2 (0.47) CYP1A2IDO1HSD17B1NOTUM
SCHEMBL30618514 0.78 CYP1A2 (0.47) CYP1A2IDO1HSD17B1NOTUM
SCHEMBL5468751 0.76 ALDH1A1 (0.49) CYP1A2
SCHEMBL19838624 0.75 CYP1A2 (0.44) CYP1A2SIGMAR1POLBIDO1KCNH2
SCHEMBL29960504 0.75 CYP1A2 (0.44) CYP1A2SIGMAR1POLBIDO1KCNH2
SCHEMBL9181002 0.75 ALDH1A1 (0.46) CYP1A2IDO1KCNH2GRIN2B
SCHEMBL11769040 0.74 CYP1A2 (0.46) CYP1A2SIGMAR1POLBIDO1ATM

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
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
WO-2006055462-A1 2-AMINO-4-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed
US-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 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-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors PYGM, PYGL, PYGB CYP1A2 1743/4885SIGMAR1 1102/4885POLB 1278/4885

“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.