SCHEMBL1128978

SCHEMBL1128978

COc1ccc(Br)c(OCC2=CCCc3ncncc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.39
CYP3A4 P08684 11/20 0.39
CYP2C19 P33261 11/20 0.39
CYP2D6 P10635 10/20 0.39
TSHR P16473 8/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP2C9 P11712 5/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 3/20 0.39
EGFR P00533 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 3/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
CLK4 Q9HAZ1 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37

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
SCHEMBL1129004 0.68 EGFR (0.33) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL14127541 0.65 CA12 (0.62) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL167090 0.65 CA12 (0.62) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL29558143 0.65 CA12 (0.62) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24993556 0.64 CA12 (0.47) CYP1A2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL31525501 0.64 MAOB (0.58) ALDH1A1MAPTKDM4E
SCHEMBL7390468 0.64 MAOB (0.58) ALDH1A1MAPTKDM4E
SCHEMBL7403167 0.64 CA12 (0.60) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL7400820 0.63 MAOB (0.57) ALDH1A1MAPTKDM4E
SCHEMBL152145 0.63 MAPT (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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 CYP1A2 71/4885CYP3A4 149/4885CYP2C19 115/4885

“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.