Sugi Predict

Sugi Predict / Compounds / SCHEMBL2818680

SCHEMBL2818680

SCHEMBL2818680

CC(C)(O)c1cncn1C1c2ccccc2CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.38
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ TDO2 P48775 6/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP11B2 P19099 3/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL13475331 0.88 IDO1 (0.38) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2817993 0.87 IDO1 (0.36) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2819540 0.87 IDO1 (0.36) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2821134 0.87 IDO1 (0.36) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL10517236 0.80 ADRA2A (0.36) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2816867 0.79 CYP11B2 (0.47) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2818328 0.78 IDO1 (0.37) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2819431 0.78 IDO1 (0.37) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2817745 0.78 IDO1 (0.37) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2177433 0.78 ALDH1A1 (0.42) IDO1ADRA2AADRA2BADRA2CADRA1B

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 IDO1 1361/4885ADRA2A 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.