SCHEMBL1129055

SCHEMBL1129055

COC(=O)N1C(=O)C2(CCCn3cncc32)c2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C19 P33261 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP17A1 P05093 4/20 0.35
CYP1A2 P05177 1/20 0.33
CYP21A2 P08686 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
FASN P49327 4/20 0.33
CYP11B1 P15538 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
SCHEMBL1129510 0.87 CYP17A1 (0.36) CYP11B2CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL1129250 0.74 KDM4E (0.37) CYP11B2CYP19A1ALDH1A1
SCHEMBL8246810 0.69 CYP11B2 (0.36) CYP11B2CYP19A1CYP2C19ALDH1A1CYP17A1
SCHEMBL3617961 0.68 CYP11B2 (0.37) CYP11B2CYP19A1CYP2C19CYP17A1CYP1A2
SCHEMBL1129473 0.68 CYP19A1 (0.38) CYP11B2CYP19A1BACE1KCNH2CYP11B1
SCHEMBL1129508 0.68 KDM4E (0.35) CYP11B2CYP19A1ALDH1A1BACE1KCNH2
SCHEMBL1129482 0.67 CYP19A1 (0.35) CYP11B2CYP19A1ALDH1A1BACE1KCNH2
SCHEMBL1129448 0.66 CYP11B2 (0.35) CYP11B2CYP19A1CYP11B1
SCHEMBL1128983 0.66 CYP19A1 (0.37) CYP11B2CYP19A1ALDH1A1CYP17A1CYP11B1
SCHEMBL1129884 0.66 CYP19A1 (0.37) CYP11B2CYP19A1BACE1KCNH2CYP11B1

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 3 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
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

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 CYP11B2 15/4885CYP19A1 67/4885CYP2C19 115/4885

“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.