SCHEMBL2819992

SCHEMBL2819992

CC(C)(O)c1cncn1[C@@H]1c2ccccc2OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
IDO1 P14902 2/20 0.38
ABCC9 O60706 3/20 0.36
ABCB1 P08183 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
TDO2 P48775 2/20 0.32
HTR2B P41595 1/20 0.31

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
SCHEMBL2818767 1.00 CYP11B2 (0.42) CYP11B2IDO1ABCC9ABCB1KCNE1
SCHEMBL2818768 1.00 CYP11B2 (0.42) CYP11B2IDO1ABCC9ABCB1KCNE1
SCHEMBL2818690 0.79 CYP11B2 (0.47) CYP11B2IDO1ABCC9KCNE1KCNQ1
SCHEMBL2818687 0.79 CYP11B2 (0.47) CYP11B2IDO1ABCC9KCNE1KCNQ1
SCHEMBL2824085 0.78 CYP11B2 (0.42) CYP11B2IDO1ABCC9ABCB1KCNE1
SCHEMBL2819619 0.76 CYP11B2 (0.40) CYP11B2IDO1ABCC9KCNE1KCNQ1
SCHEMBL2819933 0.76 CYP11B2 (0.40) CYP11B2IDO1ABCC9KCNE1KCNQ1
SCHEMBL2819617 0.76 CYP11B2 (0.40) CYP11B2IDO1ABCC9KCNE1KCNQ1
SCHEMBL2818680 0.75 IDO1 (0.38) CYP11B2IDO1TDO2
SCHEMBL2821140 0.75 CYP11B2 (0.60) CYP11B2IDO1ABCC9ABCB1KCNE1

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 1361/4885ABCC9 562/4885

“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.