SCHEMBL1129508

SCHEMBL1129508

N#Cc1ccc2c(c1)NC(=O)CC21CCCn2cncc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B2 P19099 6/20 0.35
CYP19A1 P11511 2/20 0.35
PGR P06401 3/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
OTUD7B Q6GQQ9 1/20 0.32
BACE1 P56817 3/20 0.31
KCNH2 Q12809 1/20 0.31
CYP11B1 P15538 1/20 0.31
NPY5R Q15761 1/20 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
SCHEMBL8246810 0.83 CYP11B2 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL1129469 0.82 PDE7A (0.41) ALDH1A1CYP11B2GSK3AGSK3BCDK5
SCHEMBL1129250 0.81 KDM4E (0.37) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL3617961 0.77 CYP11B2 (0.37) CYP11B2CYP19A1PGRHTR2AHTR2C
SCHEMBL3617615 0.77 KDM1A (0.41) CYP11B2CYP19A1BACE1CYP11B1
SCHEMBL1129324 0.77 KDM1A (0.46) CYP11B2CYP19A1PGRCYP11B1
SCHEMBL1129448 0.76 CYP11B2 (0.35) CYP11B2CYP19A1CYP11B1
SCHEMBL3616103 0.75 CYP19A1 (0.45) CYP11B2CYP19A1KCNH2CYP11B1
SCHEMBL1129577 0.74 MAP3K5 (0.35) CYP11B2CYP19A1BACE1KCNH2CYP11B1
SCHEMBL1129482 0.74 CYP19A1 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2

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
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
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 KDM4E 3124/4885ALDH1A1 419/4885MAPT 4084/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 KDM4E 3613/4885ALDH1A1 329/4885MAPT 4484/4885

“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.