SCHEMBL2824737

SCHEMBL2824737

C=Cc1cncn1C1c2ccccc2CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1B P35368 2/20 0.34
CYP11B2 P19099 2/20 0.32
PRCP P42785 1/20 0.32
IDO1 P14902 12/20 0.31
TDO2 P48775 5/20 0.31
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2B6 P20813 2/20 0.31
KCNH2 Q12809 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
SCHEMBL2817031 0.87 CYP11B2 (0.34) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL10517236 0.81 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL2818328 0.79 IDO1 (0.37) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL2817745 0.79 IDO1 (0.37) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL2819431 0.79 IDO1 (0.37) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL2821143 0.78 CYP11B2 (0.35) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL2817993 0.78 IDO1 (0.36) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL2819540 0.78 IDO1 (0.36) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL2820839 0.78 ADRA2A (0.34) ADRA2AADRA2BADRA2CADRA1BCYP11B2
SCHEMBL9805053 0.77 CYP11B2 (0.37) ADRA2ACYP11B2IDO1TDO2CYP3A4

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-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

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 ADRA2A 799/4885ADRA2B 220/4885ADRA2C 764/4885

“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.