SCHEMBL1129004

SCHEMBL1129004

COc1ccc(Br)c(OCC2(O)CCCc3ncncc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2D6 P10635 5/20 0.32
CYP2C19 P33261 5/20 0.32
CYP2C9 P11712 4/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 2/20 0.31
LMNA P02545 1/20 0.31
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
MEN1 O00255 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1128978 0.68 CYP1A2 (0.39) EGFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24993556 0.62 CA12 (0.47) CYP1A2CYP3A4MAPTALDH1A1LMNA
SCHEMBL30926051 0.60 MAPT (0.47) EGFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL152145 0.60 MAPT (0.47) EGFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL983772 0.59 SLC6A4 (0.49) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL6952285 0.59 MAPT (0.46) EGFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27810349 0.59 AHR (0.45) CYP1A2CYP2C19CYP2C9MAPTTSHR
SCHEMBL4697918 0.59 MTNR1A (0.44) CYP1A2CYP3A4CYP2C19CYP2C9MAPT
SCHEMBL23232229 0.59 MEN1 (0.42) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL30594517 0.59 CA12 (0.44) CYP1A2CYP3A4CYP2C19CYP2C9MAPT

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 5 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
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 EGFR 4036/4885CYP1A2 71/4885CYP3A4 149/4885

“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.