SCHEMBL1097065

SCHEMBL1097065

COC(=O)c1cncn1C1c2ccccc2C(=O)N(C2CC2)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.53
TSHR P16473 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
TNKS O95271 1/20 0.37
IDO1 P14902 4/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1097321 0.85 CYP11B2 (0.54) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1097028 0.83 CYP11B2 (0.56) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1097873 0.83 CYP11B2 (0.56) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL2818227 0.81 CYP11B2 (0.58) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL2818417 0.79 CYP11B2 (0.54) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL2818600 0.79 CYP11B2 (0.54) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL2818414 0.79 CYP11B2 (0.54) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1098830 0.78 CYP11B2 (0.79) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1098831 0.78 CYP11B2 (0.79) CYP11B2TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1096922 0.77 CYP11B2 (0.54) CYP11B2TSHRALDH1A1KDM4EHSD17B10

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 28/4885TSHR 4482/4885ALDH1A1 215/4885

“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.