SCHEMBL4821844

SCHEMBL4821844

CC(C)(C)OC(=O)CCNCCN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.46
DRD4 P21917 12/20 0.46
GFER P55789 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP6 P55212 1/20 0.42
HTR7 P34969 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4822865 0.85 MAPT (0.57) DRD2GFERMAPTSMN1; SMN2KMT2A
SCHEMBL4863257 0.82 DRD2 (0.65) DRD2DRD4GFERKDM4EGAA
SCHEMBL16824829 0.80 GFER (0.53) GFERKDM4EGAAMAPTRAD52
SCHEMBL24257354 0.78 DRD2 (0.66) DRD2DRD4
SCHEMBL31333719 0.78 MEN1 (0.41) GFERKDM4EGAAMAPTRAD52
SCHEMBL2880975 0.76 KMT2A (0.54) DRD2DRD4GFERKDM4EGAA
SCHEMBL30981429 0.75 KCNA3 (0.54) DRD2GFERKDM4EGAAMAPT
SCHEMBL4823574 0.75 ALDH1A1 (0.55) DRD2DRD4GFERMAPTSMN1; SMN2
SCHEMBL2876290 0.74 GFER (0.51) DRD2DRD4GFERKDM4EGAA
SCHEMBL30965804 0.73 DRD2 (0.43) DRD2DRD4GFERKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (2 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 DRD2 4369/4885DRD4 3050/4885GFER 2132/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 DRD2 4675/4885DRD4 3634/4885GFER 1514/4885

“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.