SCHEMBL1129260

SCHEMBL1129260

COc1ccc2c(c1)OCC21CCCn2cncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
EHMT2 Q96KQ7 1/20 0.35
BACE1 P56817 8/20 0.34
CTSD P07339 3/20 0.34
CYP17A1 P05093 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 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
SCHEMBL1129296 0.91 SCN9A (0.36) SCN9AEHMT2BACE1CTSDCYP17A1
SCHEMBL1129518 0.84 CYP19A1 (0.35) SCN9AEHMT2BACE1CYP17A1CYP19A1
SCHEMBL1129300 0.81 KDM1A (0.40) EHMT2CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL1129448 0.81 CYP11B2 (0.35) CYP19A1
SCHEMBL1129028 0.79 SIGMAR1 (0.43) EHMT2CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL1129478 0.77 MAP3K5 (0.37) EHMT2CYP17A1CYP19A1
SCHEMBL1129469 0.76 PDE7A (0.41) EHMT2CYP17A1ALDH1A1
SCHEMBL1129256 0.72 BACE1 (0.37) SCN9AEHMT2BACE1CTSDKCNH2
SCHEMBL1129261 0.71 PDE7A (0.42) SCN9ACYP17A1CYP19A1
SCHEMBL1129510 0.69 CYP17A1 (0.36) SCN9ACYP17A1CYP3A4

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 SCN9A 915/4885EHMT2 4560/4885BACE1 1643/4885

“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.