SCHEMBL3465175

SCHEMBL3465175

N#Cc1ccc2c(c1)CCC21CCCc2cncn21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.56
CYP11B2 P19099 14/20 0.46
KDM1A O60341 1/20 0.43
CYP11B1 P15538 4/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3466178 0.96 CYP19A1 (0.60) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL13564610 0.94 CYP19A1 (0.58) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3465912 0.84 CYP19A1 (0.55) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL741381 0.83 CYP19A1 (0.48) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL731872 0.83 CYP19A1 (0.42) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3464444 0.82 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3464504 0.81 CYP19A1 (0.39) CYP19A1CYP11B2
SCHEMBL3464954 0.81 CYP19A1 (0.53) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1129019 0.80 CYP19A1 (0.55) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3463695 0.79 KDM1A (0.43) CYP19A1CYP11B2KDM1ACYP11B1

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 9 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-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-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
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 CYP19A1 37/4885CYP11B2 4/4885KDM1A 2819/4885
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.