SCHEMBL1129261

SCHEMBL1129261

COc1ccc2c(c1)NC(=O)C21CCCn2cncc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
OTUD7B Q6GQQ9 1/20 0.40
AKR1B1 P15121 1/20 0.38
LRRK2 Q5S007 1/20 0.35
SRC P12931 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CYP17A1 P05093 1/20 0.34
MAP3K5 Q99683 1/20 0.33
NPY5R Q15761 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDR P35968 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTR5A P47898 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
SCHEMBL1129250 0.82 KDM4E (0.37) OTUD7BNPY5RCYP19A1
SCHEMBL1129469 0.81 PDE7A (0.41) PDE7AOTUD7BAKR1B1LRRK2SRC
SCHEMBL1129510 0.76 CYP17A1 (0.36) SCN9ACYP17A1
SCHEMBL1129478 0.73 MAP3K5 (0.37) PDE7ALRRK2CYP17A1MAP3K5CYP19A1
SCHEMBL1129300 0.72 KDM1A (0.40) CYP17A1
SCHEMBL1129518 0.72 CYP19A1 (0.35) PDE7ASCN9ACYP17A1CYP19A1
SCHEMBL1129260 0.71 SCN9A (0.38) SCN9ACYP17A1CYP19A1
SCHEMBL1129028 0.70 SIGMAR1 (0.43) CYP17A1
SCHEMBL1129296 0.70 SCN9A (0.36) SCN9ACYP17A1CYP19A1
SCHEMBL15047588 0.68 CYP17A1 (0.59) CYP17A1

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 PDE7A 1745/4885OTUD7B 4222/4885AKR1B1 7/4885

“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.