SCHEMBL1129577

SCHEMBL1129577

N#Cc1ccc2c(c1)OCCC21CCCn2cncc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.35
CYP11B2 P19099 9/20 0.34
CYP19A1 P11511 2/20 0.34
RIPK1 Q13546 1/20 0.32
ABCB1 P08183 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CYP11B1 P15538 3/20 0.32
BACE1 P56817 2/20 0.32
ABCC9 O60706 1/20 0.31
KCNH2 Q12809 2/20 0.31
PKM P14618 1/20 0.30
PKLR P30613 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
SCHEMBL1129448 0.91 CYP11B2 (0.35) MAP3K5CYP11B2CYP19A1ABCB1CYP11B1
SCHEMBL1129687 0.84 DRD2 (0.31)
SCHEMBL1129296 0.81 SCN9A (0.36) CYP11B2CYP19A1RIPK1CYP11B1BACE1
SCHEMBL1129324 0.81 KDM1A (0.46) CYP11B2CYP19A1CYP11B1
SCHEMBL3617615 0.81 KDM1A (0.41) CYP11B2CYP19A1CYP11B1BACE1
SCHEMBL3616103 0.79 CYP19A1 (0.45) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL3617961 0.77 CYP11B2 (0.37) CYP11B2CYP19A1CYP11B1
SCHEMBL8246810 0.76 CYP11B2 (0.36) CYP11B2CYP19A1CYP11B1
SCHEMBL1129508 0.74 KDM4E (0.35) CYP11B2CYP19A1CYP11B1BACE1KCNH2
SCHEMBL3368780 0.72 KDM1A (0.40) CYP11B2CYP19A1CYP11B1BACE1KCNH2

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 11 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 US disclosed
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
WO-2006128851-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO 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 (2 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 MAP3K5 813/4885CYP11B2 4/4885CYP19A1 37/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 MAP3K5 1605/4885CYP11B2 15/4885CYP19A1 67/4885

“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.