Sugi Predict

Sugi Predict / Compounds / SCHEMBL843460

SCHEMBL843460

SCHEMBL843460

CC1(C)CN(C(=O)Cc2ccccc2)c2ccccc2C1n1cncc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ IDO1 P14902 6/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ ROCK1 Q13464 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AMPD2 Q01433 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL843400 0.84 IDO1 (0.33) CYP11B2ALDH1A1HPGDIDO1CYP3A4
SCHEMBL842704 0.82 CYP11B2 (0.57) CYP11B2CYP3A4CACNA1GCACNA1HCACNA1I
SCHEMBL843156 0.80 CYP11B2 (0.44) CYP11B2IDO1
SCHEMBL843399 0.78 IDO1 (0.34) CYP11B2ALDH1A1HPGDIDO1CYP3A4
SCHEMBL843401 0.78 ALDH1A1 (0.33) CYP11B2ALDH1A1HPGDIDO1CYP3A4
SCHEMBL843773 0.75 CYP11B2 (0.40) CYP11B2ALDH1A1IDO1MEN1KMT2A
SCHEMBL10644234 0.70 CYP11B2 (0.45) CYP11B2IDO1CYP3A4CYP2D6CYP2B6
SCHEMBL842755 0.69 CYP11B2 (0.52) CYP11B2IDO1
SCHEMBL842521 0.69 CYP11B2 (0.43) CYP11B2IDO1GAAMAPK1CACNA1G
SCHEMBL17477060 0.68 CYP11B2 (0.37) CYP11B2ALDH1A1IDO1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 — — EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885ALDH1A1 142/4885HPGD 202/4885

“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.