SCHEMBL2820997

SCHEMBL2820997

CC(C)OC(=O)c1cncn1[C@@H]1CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.41
IDO1 P14902 7/20 0.39
HSD11B1 P28845 1/20 0.39
CYP19A1 P11511 2/20 0.39
TDO2 P48775 2/20 0.38
CYP3A4 P08684 1/20 0.38
XIAP P98170 2/20 0.37
BIRC3 Q13489 2/20 0.37
BIRC2 Q13490 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2820348 1.00 CYP11B2 (0.41) CYP11B2IDO1HSD11B1CYP19A1TDO2
SCHEMBL2820351 1.00 CYP11B2 (0.41) CYP11B2IDO1HSD11B1CYP19A1TDO2
SCHEMBL2818204 0.97 CYP11B2 (0.45) CYP11B2IDO1HSD11B1CYP19A1TDO2
SCHEMBL2818201 0.97 CYP11B2 (0.45) CYP11B2IDO1HSD11B1CYP19A1TDO2
SCHEMBL2819795 0.97 CYP11B2 (0.45) CYP11B2IDO1HSD11B1CYP19A1TDO2
SCHEMBL2817728 0.93 CYP11B2 (0.43) CYP11B2IDO1TDO2CYP3A4
SCHEMBL9493435 0.88 CYP11B2 (0.43) CYP11B2HSD11B1CYP19A1
SCHEMBL2817700 0.88 CYP11B2 (0.43) CYP11B2HSD11B1CYP19A1
SCHEMBL9493247 0.88 CYP11B2 (0.43) CYP11B2HSD11B1CYP19A1
SCHEMBL9805000 0.86 CYP11B2 (0.46) CYP11B2IDO1HSD11B1TDO2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885IDO1 1361/4885HSD11B1 2/4885

“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.