SCHEMBL743696

SCHEMBL743696

COc1ccc2c(c1)CCC21COC/C(=C/[N+](=O)[O-])N1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
ADRA2A P08913 2/20 0.35
KDM1A O60341 1/20 0.34
PDE7A Q13946 2/20 0.34
BACE1 P56817 1/20 0.33
AR P10275 2/20 0.32
SNCA P37840 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3465027 0.84 PDE7A (0.43) CYP2C19ADRA2AKDM1APDE7ABACE1
SCHEMBL3465025 0.84 PDE7A (0.43) CYP2C19ADRA2AKDM1APDE7ABACE1
SCHEMBL743822 0.80 ADRA2A (0.43) CYP2C19ADRA2AKDM1APDE7ABACE1
SCHEMBL731576 0.72 FBP1 (0.37) SNCAGAASMN1; SMN2ALDH1A1
SCHEMBL742452 0.68 KDM1A (0.39) CYP2C19ADRA2AKDM1AAR
SCHEMBL3465090 0.66 PDE7A (0.53) CYP2C19ADRA2AKDM1APDE7AAR
SCHEMBL742411 0.65 KDM1A (0.42) CYP2C19ADRA2AKDM1ABACE1AR
SCHEMBL28465895 0.64 KDM1A (0.48) CYP2C19ADRA2AKDM1APDE7ASMN1; SMN2
SCHEMBL7828016 0.64 ADRA2A (0.54) ADRA2APDE7ABACE1SMN1; SMN2
SCHEMBL7823957 0.64 ADRA2A (0.54) ADRA2APDE7ABACE1ARSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 CYP2C19 89/4885ADRA2A 138/4885KDM1A 3697/4885

“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.