SCHEMBL3559948

SCHEMBL3559948

CCCc1ccc(N2CCN(CNO)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
IGF1R P08069 1/20 0.38
PARP1 P09874 1/20 0.37
APOBEC3A P31941 2/20 0.36
RAB9A P51151 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
NPC1 O15118 1/20 0.36
CACNA1G O43497 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A3 P47895 1/20 0.35
DRD2 P14416 5/20 0.35
DRD4 P21917 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3553897 0.81 IGF1R (0.53) RAD52GAAMAPTGFERIGF1R
SCHEMBL14000066 0.79 MAPT (0.46) RAD52GAAMAPTGFERPARP1
SCHEMBL3546173 0.79 DRD2 (0.51) RAD52GAAMAPTGFERIGF1R
SCHEMBL3556355 0.76 ADAM10 (0.47) RAD52GAAMAPTGFERIGF1R
SCHEMBL3550856 0.75 HTR7 (0.51) GAAMAPTDRD2ADRA1DADRA1A
SCHEMBL3551183 0.73 ALDH1A1 (0.61) MAPTALDH1A1DRD2DRD4HTR1A
SCHEMBL6111730 0.73 RAD52 (0.61) RAD52GAAMAPTGFERIGF1R
SCHEMBL3552347 0.70 DRD2 (0.47) ALDH1A1NPSR1DRD2DRD4
SCHEMBL10278375 0.70 ADRA1B (0.48) MAPTDRD2HTR1AADRA1DADRA1A
SCHEMBL3436294 0.68 MAPT (0.43) RAD52GAAMAPTGFERALDH1A1

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 RAD52 4165/4885GAA 3904/4885MAPT 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.