SCHEMBL3784890

SCHEMBL3784890

CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@H]2CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.55
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.51
EPHX1 P07099 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50

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
SCHEMBL2881367 1.00 GPR119 (0.55) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL2881371 1.00 GPR119 (0.55) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL14993086 0.95 GPR119 (0.57) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL25154183 0.92 CHRNB2 (0.51) GPR119HPGDRECQLEPHX1
SCHEMBL2239446 0.92 CHRNB2 (0.51) GPR119HPGDRECQLEPHX1
SCHEMBL4516507 0.92 CHRNB2 (0.51) GPR119HPGDRECQLEPHX1
SCHEMBL26100517 0.91 GPR119 (0.53) GPR119HPGDRECQLEPHX1
SCHEMBL26099289 0.91 GPR119 (0.53) GPR119HPGDRECQLEPHX1
SCHEMBL26098762 0.91 GPR119 (0.53) GPR119HPGDRECQLEPHX1
SCHEMBL26116742 0.89 GPR119 (0.48) GPR119HPGDRECQLEPHX1KDM4E

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 6 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-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
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
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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 GPR119 51/4885HPGD 455/4885RECQL 447/4885

“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.