SCHEMBL16727329

SCHEMBL16727329

CC(C)(C)CC(=O)N1COCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.34
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13612712 0.79 ALDH1A1 (0.38) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL16875997 0.78 CNR2 (0.38) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL12608295 0.76 CNR2 (0.34) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL13472118 0.76 CNR2 (0.33) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL2834119 0.75 CNR2 (0.34) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL16885247 0.75 CNR2 (0.39) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL14195168 0.74 CNR2 (0.33) CNR2CNR1
SCHEMBL14547243 0.72 CNR2 (0.35) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL425266 0.71 CNR2 (0.37) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL24792935 0.70 POLB (0.30) GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR CNR2 2560/4885CNR1 2680/4885KDM4E 2668/4885

“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.