SCHEMBL17805809

SCHEMBL17805809

CNC1CCC(c2c[nH]c3nc(Nc4ccc(F)c(F)c4)ccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.75
DHFR P00374 2/20 0.37
CCR2 P41597 1/20 0.37
SLC6A4 P31645 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
CYP2C19 P33261 2/20 0.34
NOS2 P35228 2/20 0.34
KCNH2 Q12809 2/20 0.34
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL12128866 0.87 APP (0.81) APPDHFR
SCHEMBL12129574 0.86 APP (1.00) APPDHFR
SCHEMBL21089220 0.85 APP (0.75) APPCYP3A4CYP2D6
SCHEMBL12129630 0.76 APP (0.77) APPSLC6A4SLC6A2
SCHEMBL21089104 0.75 APP (0.60) APPDHFRCYP3A4RAPGEF4
SCHEMBL12128851 0.73 APP (0.80) APPSLC6A4
SCHEMBL12129560 0.72 APP (1.00) APP
SCHEMBL12285936 0.72 APP (0.74) APPCYP3A4CYP2D6
SCHEMBL12129023 0.72 APP (0.46) APPDHFRRAPGEF4
SCHEMBL12128842 0.70 APP (0.59) APPCYP3A4CYP2D6CYP2C19RAPGEF4

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-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 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-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 APP 1/4885DHFR 4024/4885CCR2 2961/4885

“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.