Sugi Predict

Sugi Predict / Compounds / SCHEMBL1129482

SCHEMBL1129482

SCHEMBL1129482

N#Cc1ccc2c(c1)CC(=O)NC21CCCn2cncc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.35
▸ CYP11B2 P19099 7/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ OTUD7B Q6GQQ9 2/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL1128983 0.83 CYP19A1 (0.37) CYP19A1CYP11B2HTR2AHTR2CHTR2B
SCHEMBL1129540 0.83 CYP19A1 (0.38) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL1129849 0.82 CYP19A1 (0.40) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL1129884 0.76 CYP19A1 (0.37) CYP19A1CYP11B2KDM1ACYP11B1BACE1
SCHEMBL1129250 0.76 KDM4E (0.37) CYP19A1CYP11B2HTR2AHTR2COTUD7B
SCHEMBL1129508 0.74 KDM4E (0.35) CYP19A1CYP11B2HTR2AHTR2COTUD7B
SCHEMBL3617615 0.73 KDM1A (0.41) CYP19A1CYP11B2KDM1ACYP11B1BACE1
SCHEMBL1129324 0.73 KDM1A (0.46) CYP19A1CYP11B2KDM1ACYP11B1
SCHEMBL3367425 0.72 FASN (0.38) CYP19A1CYP11B2KDM1AHTR2AHTR2C
SCHEMBL1128884 0.71 CYP11B2 (0.40) CYP19A1CYP11B2KDM1ACYP11B1BACE1

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-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 — — US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 — — EP disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 — — US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 — — US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 — — US disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 — — 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP19A1 67/4885CYP11B2 15/4885KDM1A 3415/4885

“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.