SCHEMBL1129250

SCHEMBL1129250

N#Cc1ccc2c(c1)NC(=O)C21CCCn2cncc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 3/20 0.36
PGR P06401 2/20 0.36
OTUD7B Q6GQQ9 10/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL1129508 0.81 KDM4E (0.35) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL1129482 0.76 CYP19A1 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL1128983 0.76 CYP19A1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL8246810 0.74 CYP11B2 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL1129055 0.74 CYP11B2 (0.42) ALDH1A1CYP11B2CYP19A1
SCHEMBL3617961 0.73 CYP11B2 (0.37) CYP11B2CYP19A1PGRHTR2AHTR2C
SCHEMBL1129540 0.73 CYP19A1 (0.38) CYP11B2CYP19A1
SCHEMBL1129473 0.73 CYP19A1 (0.38) CYP11B2CYP19A1HTR2AHTR2CNPY5R
SCHEMBL1129324 0.72 KDM1A (0.46) CYP11B2CYP19A1PGR
SCHEMBL3617615 0.72 KDM1A (0.41) CYP11B2CYP19A1

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 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.