SCHEMBL3782863

SCHEMBL3782863

CC(C)(C)OC(=O)N1CC2(CCN(c3ccnc(N)n3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
EIF2AK4 Q9P2K8 2/20 0.49
GPR119 Q8TDV5 3/20 0.48
CYP11B2 P19099 1/20 0.48
MAP4K4 O95819 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
ACACB O00763 3/20 0.46
ROCK2 O75116 1/20 0.44
RET P07949 1/20 0.43
SCD5 Q86SK9 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3782979 0.86 MAP4K4 (0.61) HRH3GPR119MAP4K4HRH4CKS1B
SCHEMBL27226391 0.84 GPR119 (0.70) EIF2AK4GPR119CYP11B2RET
SCHEMBL14138637 0.81 GPR119 (0.72) HRH3GPR119MAP4K4
SCHEMBL29461422 0.81 GPR119 (0.66) GPR119CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL485186 0.80 CYP11B2 (0.53) EIF2AK4GPR119CYP11B2MAP4K4ACACB
SCHEMBL30327668 0.78 FFAR4 (0.55) HRH3EIF2AK4GPR119CYP11B2RET
SCHEMBL3777677 0.78 PDE10A (0.54) HRH3GPR119MAP4K4HRH4HDAC1
SCHEMBL3777675 0.78 PDE10A (0.54) HRH3GPR119MAP4K4HRH4HDAC1
SCHEMBL30327937 0.78 CYP11B2 (0.51) EIF2AK4GPR119CYP11B2MAP4K4ACACB
SCHEMBL29461429 0.78 RET (0.51) HRH3GPR119CYP11B2RET

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-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885EIF2AK4 3483/4885GPR119 51/4885

“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.