SCHEMBL20249175

SCHEMBL20249175

COC1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
LTA4H P09960 1/20 0.43
PDE1B Q01064 1/20 0.42
KMT2A Q03164 1/20 0.41
PPARD Q03181 1/20 0.41
TRPV6 Q9H1D0 1/20 0.39
HSD11B1 P28845 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TEAD1 P28347 2/20 0.39
MAP4K4 O95819 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL20249249 0.85 PPARD (0.43) LTA4HKMT2APPARDJAK2JAK1
SCHEMBL20249121 0.83 ALDH1A1 (0.52) LTA4HKMT2APPARDKCNH2GPR119
SCHEMBL18291381 0.82 PDE1B (0.47) OPRM1OPRK1LTA4HPDE1BKMT2A
SCHEMBL20249106 0.81 LTA4H (0.46) LTA4HKMT2APPARDJAK2JAK1
SCHEMBL20249124 0.81 KCNH2 (0.47) KMT2APPARDJAK2JAK1TYK2
SCHEMBL20249125 0.81 HRH3 (0.45) LTA4HKMT2APPARDKCNH2GPR119
SCHEMBL12673217 0.81 HRH3 (0.50) PPARDHRH3
SCHEMBL18291606 0.81 PIK3CA (0.45) OPRM1OPRK1LTA4HPDE1BKMT2A
SCHEMBL20037962 0.81 PDE1B (0.46) OPRM1OPRK1LTA4HPDE1BKMT2A
SCHEMBL14747471 0.80 HRH3 (0.53) HRH3

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 OPRM1 4815/4885OPRK1 4529/4885LTA4H 3374/4885

“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.