SCHEMBL1129017

SCHEMBL1129017

Oc1ccc2c(c1)C1(CCC2)CCCn2cncc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP17A1 P05093 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL3616103 0.82 CYP19A1 (0.45) CYP17A1CYP19A1
SCHEMBL1129028 0.81 SIGMAR1 (0.43) SIGMAR1SLC6A2SLC6A4SLC6A3CYP17A1
SCHEMBL12060813 0.81 CYP19A1 (0.37) CYP17A1CYP19A1
SCHEMBL1129687 0.78 DRD2 (0.31) CYP17A1DRD2DRD1DRD4DRD5
SCHEMBL743744 0.77 SIGMAR1 (0.36) SIGMAR1CYP1A2CYP2C19
SCHEMBL1129324 0.77 KDM1A (0.46) DRD2DRD3CYP19A1
SCHEMBL1129301 0.76 DRD2 (0.34) SIGMAR1CYP17A1DRD2DRD4DRD3
SCHEMBL1129300 0.71 KDM1A (0.40) SLC6A2SLC6A4SLC6A3CYP17A1DRD2
SCHEMBL3617961 0.66 CYP11B2 (0.37) CYP17A1CYP1A2CYP21A2CYP2C19CYP19A1
SCHEMBL29646235 0.65 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3ESR1ESR2

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 3 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-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 (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 SIGMAR1 1053/4885SLC6A2 3024/4885SLC6A4 3219/4885

“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.