SCHEMBL1129518

SCHEMBL1129518

COc1ccc2c(c1)OC(=O)CC21CCCn2cncc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SCN9A Q15858 2/20 0.33
MAPT P10636 2/20 0.33
AVPR1A P37288 2/20 0.33
CYP17A1 P05093 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
CA2 P00918 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR2C P28335 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL1129260 0.84 SCN9A (0.38) CYP19A1BACE1ALDH1A1SCN9AMAPT
SCHEMBL1129296 0.82 SCN9A (0.36) CYP19A1BACE1ALDH1A1SCN9ACYP17A1
SCHEMBL1129469 0.80 PDE7A (0.41) ALDH1A1AVPR1ACYP17A1EHMT2OPRM1
SCHEMBL1129478 0.77 MAP3K5 (0.37) CYP19A1AVPR1ACYP17A1EHMT2OPRM1
SCHEMBL1129300 0.76 KDM1A (0.40) CYP17A1EHMT2
SCHEMBL1129028 0.75 SIGMAR1 (0.43) CYP17A1EHMT2
SCHEMBL1129261 0.72 PDE7A (0.42) CYP19A1SCN9ACYP17A1PDE7A
SCHEMBL31371954 0.70 CA12 (0.43) CA12CA9ALDH1A1MAPTCA2
SCHEMBL31372136 0.70 CA12 (0.43) CA12CA9ALDH1A1MAPTCA2
SCHEMBL28652094 0.68 PPIB (0.42) CA12CA9BACE1ALDH1A1MAPT

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 CYP19A1 67/4885CA12 3761/4885CA9 1595/4885

“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.