SCHEMBL5068809

SCHEMBL5068809

COC(=O)C1CCC(N2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
MBTD1 Q05BQ5 3/20 0.41
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5068807 1.00 SMN1; SMN2 (0.53) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL2942040 0.98 SMN1; SMN2 (0.50) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL3274422 0.98 SMN1; SMN2 (0.50) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL2942042 0.98 SMN1; SMN2 (0.50) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL21851141 0.86 TP53 (0.56) SMN1; SMN2POLBTP53ALDH1A1GAA
SCHEMBL6032178 0.85 SMN1; SMN2 (0.62) SMN1; SMN2POLBTP53ALDH1A1CYP3A4
SCHEMBL25618622 0.84 TP53 (0.46) SMN1; SMN2POLBTP53ALDH1A1GAA
SCHEMBL24837937 0.82 TP53 (0.45) SMN1; SMN2POLBTP53ALDH1A1GAA
SCHEMBL2944005 0.82 TP53 (0.45) SMN1; SMN2POLBTP53ALDH1A1GAA
SCHEMBL2944007 0.82 TP53 (0.45) SMN1; SMN2POLBTP53ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
CN-101023083-A Nitrogenous fused bicyclic compound TANABE SEIYAKU CO (JP) 2007-08-22 CN disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP 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-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 SMN1; SMN2 1970/4885POLB 2555/4885TP53 3976/4885

“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.