SCHEMBL2817031

SCHEMBL2817031

CC1(C)Cc2ccccc2C1n1cncc1C=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.34
ADRA2A P08913 4/20 0.34
ADRA2B P18089 4/20 0.34
ADRA2C P18825 4/20 0.34
ADRA1B P35368 4/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HBB P68871 1/20 0.32
IDO1 P14902 9/20 0.32
TDO2 P48775 3/20 0.31
CYP3A4 P08684 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
SCHEMBL9805053 0.90 CYP11B2 (0.37) CYP11B2ADRA2AIDO1TDO2CYP3A4
SCHEMBL2824737 0.87 ADRA2A (0.34) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9804900 0.81 CYP11B2 (0.35) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL10517236 0.81 ADRA2A (0.36) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9804895 0.79 CYP11B2 (0.42) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2177433 0.79 ALDH1A1 (0.42) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2821143 0.78 CYP11B2 (0.35) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2820839 0.78 ADRA2A (0.34) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2819540 0.78 IDO1 (0.36) CYP11B2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2817993 0.78 IDO1 (0.36) CYP11B2ADRA2AADRA2BADRA2CADRA1B

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 10 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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885ADRA2A 799/4885ADRA2B 220/4885

“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.