SCHEMBL1097680

SCHEMBL1097680

CC1(C)OC(=O)c2c(Cl)cccc2C1n1cncc1CO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.56
IDO1 P14902 8/20 0.35
KCNH2 Q12809 2/20 0.35
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABCC9 O60706 1/20 0.31
KMT2A Q03164 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
GAA P10253 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
SCHEMBL5131950 1.00 CYP11B2 (0.56) CYP11B2IDO1KCNH2TDO2ALDH1A1
SCHEMBL2821046 0.85 CYP11B2 (0.62) CYP11B2IDO1KCNH2TDO2ALDH1A1
SCHEMBL2822331 0.85 CYP11B2 (0.62) CYP11B2IDO1KCNH2TDO2ALDH1A1
SCHEMBL1097132 0.83 CYP11B2 (0.61) CYP11B2IDO1KCNH2ABCC9KMT2A
SCHEMBL1097129 0.83 CYP11B2 (0.61) CYP11B2IDO1KCNH2ABCC9KMT2A
SCHEMBL1096593 0.82 CYP11B2 (0.64) CYP11B2IDO1TDO2
SCHEMBL1096591 0.82 CYP11B2 (0.64) CYP11B2IDO1TDO2
SCHEMBL1097226 0.82 CYP11B2 (0.50) CYP11B2IDO1KCNH2ALDH1A1ABCC9
SCHEMBL1106699 0.80 CYP11B2 (0.48) CYP11B2IDO1KCNH2ABCC9
SCHEMBL2818690 0.78 CYP11B2 (0.47) CYP11B2IDO1KCNH2TDO2ABCC9

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 9 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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
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
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO 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 2430/4885KCNH2 1277/4885

“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.