SCHEMBL1128884

SCHEMBL1128884

CN1Cc2cc(C#N)ccc2C12CCCn1cncc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.40
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 3/20 0.37
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
KDM1A O60341 1/20 0.34
SLC6A4 P31645 1/20 0.34
BACE1 P56817 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
SCHEMBL3610862 0.90 CYP19A1 (0.39) CYP11B2CYP19A1CYP11B1DRD2DRD3
SCHEMBL1129884 0.83 CYP19A1 (0.37) CYP11B2CYP19A1CYP11B1KDM1ABACE1
SCHEMBL1129473 0.78 CYP19A1 (0.38) CYP11B2CYP19A1CYP11B1SLC6A4BACE1
SCHEMBL1129324 0.76 KDM1A (0.46) CYP11B2CYP19A1CYP11B1DRD2DRD3
SCHEMBL3617615 0.76 KDM1A (0.41) CYP11B2CYP19A1CYP11B1DRD2DRD3
SCHEMBL3616103 0.74 CYP19A1 (0.45) CYP11B2CYP19A1CYP11B1KDM1A
SCHEMBL3367425 0.74 FASN (0.38) CYP11B2CYP19A1DRD3KDM1ASLC6A4
SCHEMBL1129540 0.74 CYP19A1 (0.38) CYP11B2CYP19A1CYP11B1DRD2DRD3
SCHEMBL1129849 0.73 CYP19A1 (0.40) CYP11B2CYP19A1CYP11B1DRD2DRD3
SCHEMBL3368780 0.72 KDM1A (0.40) CYP11B2CYP19A1CYP11B1KDM1ABACE1

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 8 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-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-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 (1 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP11B2 15/4885CYP19A1 67/4885CYP11B1 9/4885

“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.