SCHEMBL1097129

SCHEMBL1097129

CC1(C)OC(=O)c2cccc(Cl)c2[C@@H]1n1cncc1CO

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.61
IDO1 P14902 4/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
KCNH2 Q12809 1/20 0.33
ABCC9 O60706 1/20 0.31
KMT2A Q03164 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
PTPN11 Q06124 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL1097132 1.00 CYP11B2 (0.61) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL2817744 0.85 CYP11B2 (0.71) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL2817749 0.85 CYP11B2 (0.71) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL1097680 0.83 CYP11B2 (0.56) CYP11B2IDO1KCNH2ABCC9KMT2A
SCHEMBL5131950 0.83 CYP11B2 (0.56) CYP11B2IDO1KCNH2ABCC9KMT2A
SCHEMBL1096591 0.82 CYP11B2 (0.64) CYP11B2IDO1
SCHEMBL1096593 0.82 CYP11B2 (0.64) CYP11B2IDO1
SCHEMBL1097226 0.82 CYP11B2 (0.50) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL1106699 0.80 CYP11B2 (0.48) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL842752 0.76 CYP11B2 (1.00) CYP11B2IDO1CYP3A4CYP2D6CYP2B6

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP11B2 28/4885IDO1 2430/4885CYP3A4 953/4885

“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.