SCHEMBL1131394

SCHEMBL1131394

N#Cc1ccc2c(c1)OCC21CCCc2ncncc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
GRM4 Q14833 1/20 0.32
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
KCNH2 Q12809 1/20 0.31
CYP19A1 P11511 3/20 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
SCHEMBL1129533 0.83 GRM4 (0.32) GRM4BACE1KCNH2
SCHEMBL1129448 0.73 CYP11B2 (0.35) CYP11B2CYP11B1CYP19A1
SCHEMBL5051697 0.69 CYP11B2 (0.50) KDM1ACYP11B2CYP11B1GRM4CYP19A1
SCHEMBL1129577 0.67 MAP3K5 (0.35) CYP11B2CYP11B1BACE1KCNH2CYP19A1
SCHEMBL3464954 0.67 CYP19A1 (0.53) CYP11B2CYP11B1KCNH2CYP19A1
SCHEMBL1129532 0.64 GRM4 (0.34) GRM4
SCHEMBL3330869 0.63 DAO (0.34) BACE1CYP19A1
SCHEMBL21138087 0.62 S1PR5 (0.40) KDM1A
SCHEMBL3464444 0.61 CYP19A1 (0.52) CYP11B2CYP11B1KCNH2CYP19A1
SCHEMBL1129324 0.60 KDM1A (0.46) KDM1ACYP11B2CYP11B1CYP19A1

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 KDM1A 3415/4885CYP11B2 15/4885CYP11B1 9/4885

“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.