SCHEMBL1129469

SCHEMBL1129469

COc1ccc2c(c1)NC(=O)CC21CCCn2cncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.41
OTUD7B Q6GQQ9 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDR P35968 1/20 0.36
AKR1B1 P15121 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP17A1 P05093 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL1129508 0.82 KDM4E (0.35) OTUD7BALDH1A1GSK3AGSK3BCDK5
SCHEMBL1129261 0.81 PDE7A (0.42) PDE7AOTUD7BCRBNKDRAKR1B1
SCHEMBL1129518 0.80 CYP19A1 (0.35) PDE7AALDH1A1CYP17A1EHMT2AVPR1A
SCHEMBL1129478 0.78 MAP3K5 (0.37) PDE7ALRRK2CYP17A1EHMT2TUBB4A
SCHEMBL1129300 0.77 KDM1A (0.40) CYP17A1EHMT2CYP11B1CYP11B2
SCHEMBL1129260 0.76 SCN9A (0.38) ALDH1A1CYP17A1EHMT2
SCHEMBL1129028 0.76 SIGMAR1 (0.43) CYP17A1EHMT2
SCHEMBL1129296 0.74 SCN9A (0.36) ALDH1A1CYP17A1EHMT2CYP11B1CYP11B2
SCHEMBL1129594 0.71 PDE7A (0.40) PDE7AOTUD7BKDRPDE3BPDE3A
SCHEMBL1129510 0.68 CYP17A1 (0.36) CYP17A1OPRM1OPRK1OPRL1CYP1A2

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 4222/4885CRBN 3300/4885

“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.