SCHEMBL3552723

SCHEMBL3552723

CCOC1CCN(c2nc(C)co2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
SCD O00767 1/20 0.33
MAPT P10636 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
ADK P55263 1/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
LRRK2 Q5S007 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL3435992 0.80 HCRTR1 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3436269 0.80 HCRTR1 (0.35) PIK3CAMTORMAPTPDE10AKDM4E
SCHEMBL13162793 0.78 KDM4E (0.35) KDM4EKMT2AHPGDHSD17B10USP2
SCHEMBL2078077 0.78 PTGER1 (0.36) PIK3CAMTORMAPTPDE10AKDM4E
SCHEMBL13270552 0.77 LIPG (0.39) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL13162797 0.76 GPR119 (0.46) PIK3CAMTORKDM4EALDH1A1LMNA
SCHEMBL13634240 0.76 HRH4 (0.33) PIK3CAMTOR
SCHEMBL13162805 0.75 SCD (0.38) SCDGPR119
SCHEMBL3513374 0.73 CRHBP (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL15888551 0.73 HCRTR1 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A

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 PIK3CA 1269/4885MTOR 1596/4885SCD 4772/4885

“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.