SCHEMBL1129307

SCHEMBL1129307

COc1ccc2c(c1)C(=O)CC21CCCc2cncn21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
CYP11B2 P19099 3/20 0.37
CYP19A1 P11511 4/20 0.37
KDM4E B2RXH2 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
KLK7 P49862 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL3463695 0.80 KDM1A (0.43) CYP11B2CYP19A1SIGMAR1
SCHEMBL3464420 0.78 CYP11B2 (0.35) CYP11B2CYP19A1SIGMAR1
SCHEMBL3465912 0.72 CYP19A1 (0.55) CYP11B2CYP19A1
SCHEMBL1129478 0.69 MAP3K5 (0.37) AVPR1ACYP19A1GRIN1GRIN2AGRIN2B
SCHEMBL8596234 0.68 GRIN1 (0.46) KDM4EGRIN1GRIN2AGRIN2BKLK7
SCHEMBL3464936 0.66 CYP19A1 (0.35) CYP11B2CYP19A1
SCHEMBL3465956 0.66 CYP19A1 (0.53) CYP11B2CYP19A1
SCHEMBL743695 0.66 ADRA2A (0.37) CYP11B2CYP19A1SIGMAR1
SCHEMBL8597253 0.66 PDE3B (0.47) KDM4EKLK7ALDH1A1SMN1; SMN2PDE3B
SCHEMBL1040778 0.65 CYP19A1 (0.48) 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 4 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
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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US 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 AVPR1A 132/4885CYP11B2 4/4885CYP19A1 37/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 AVPR1A 40/4885CYP11B2 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.