SCHEMBL3436290

SCHEMBL3436290

CCOC(=O)CCc1ccc(N2CCN(CC(N)=O)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PRMT1 Q99873 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP14 P54578 1/20 0.40
BACE1 P56817 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 2/20 0.39
ABCB1 P08183 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL3435645 0.90 PRMT1 (0.49) CYP4F2CYP4A11ALDH1A1KDM4EPRMT1
SCHEMBL3436294 0.88 MAPT (0.43) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436291 0.86 ITGB3 (0.43) MAPTGAARAD52GFERHTT
SCHEMBL14000066 0.86 MAPT (0.46) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436575 0.83 MAPT (0.48) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436578 0.80 ALDH1A1 (0.43) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436303 0.77 HTT (0.53) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL3436570 0.75 ALDH1A1 (0.47) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436540 0.75 HTR3E (0.55) MAPTGAARAD52GFERALDH1A1
SCHEMBL3436301 0.74 AKR1C3 (0.55) MAPTGAARAD52GFERALDH1A1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CYP4F2 2507/4885CYP4A11 2619/4885MAPT 1330/4885

“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.