SCHEMBL1129548

SCHEMBL1129548

CCOC(=O)CC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
RBP4 P02753 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
RIPK1 Q13546 2/20 0.42
USP30 Q70CQ3 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPID Q08752 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL9248509 0.84 LMNA (0.60) KLKB1ALDH1A1LMNARBP4KDM5A
SCHEMBL24310642 0.83 KDM4C (0.52) KLKB1ALDH1A1LMNARBP4KDM5A
SCHEMBL24310337 0.80 KDM4C (0.50) KLKB1RBP4KDM5AKDM4CKDM5B
SCHEMBL18353717 0.80 ALDH1A1 (0.44) KLKB1ALDH1A1LMNARBP4KDM5A
SCHEMBL8455536 0.80 ALDH1A1 (0.49) ALDH1A1LMNAKDM5AKDM4CKDM5B
SCHEMBL18367381 0.79 CDK5 (0.53) KLKB1RBP4KDM5AKDM4CKDM5B
SCHEMBL20656320 0.78 KLKB1 (0.44) KLKB1ALDH1A1LMNARBP4KDM5A
SCHEMBL9093669 0.78 MEN1 (0.45) ALDH1A1LMNAKDM5AKDM4CKDM5B
SCHEMBL12080676 0.77 ALDH1A1 (0.44) KLKB1ALDH1A1LMNARBP4KDM5A
SCHEMBL12076045 0.77 ALDH1A1 (0.44) KLKB1ALDH1A1LMNARBP4KDM5A

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 6 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
CN-101184760-A Heterocyclic spiro-compounds SPEEDEL EXPERIMENTA AG (CH) 2008-05-21 CN disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO 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 KLKB1 1409/4885ALDH1A1 329/4885LMNA 790/4885

“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.