SCHEMBL20249125

SCHEMBL20249125

CC(C)(C)c1ccc(CN2CCC(CO)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
ACHE P22303 2/20 0.45
LTA4H P09960 5/20 0.42
KMT2A Q03164 1/20 0.41
PPARD Q03181 1/20 0.41
KCNH2 Q12809 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
FAAH O00519 1/20 0.39
CHRM1 P11229 2/20 0.39
MCHR1 Q99705 2/20 0.39
HTR2A P28223 1/20 0.39
PTK2 Q05397 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39

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
SCHEMBL20249121 0.86 ALDH1A1 (0.52) HRH3ACHELTA4HKMT2APPARD
SCHEMBL20249110 0.85 CYP2D6 (0.55) LTA4HKMT2A
SCHEMBL20249249 0.85 PPARD (0.43) HRH3LTA4HKMT2APPARDKCNH2
SCHEMBL20249106 0.84 LTA4H (0.46) HRH3LTA4HKMT2APPARDKCNH2
SCHEMBL20038328 0.82 HRH3 (0.48) HRH3ACHELTA4HKMT2ACHRM1
SCHEMBL20249111 0.82 S1PR5 (0.51) HRH3LTA4HKMT2APPARDKCNH2
SCHEMBL20249175 0.81 OPRM1 (0.43) HRH3LTA4HKMT2APPARDKCNH2
SCHEMBL20249124 0.81 KCNH2 (0.47) HRH3KMT2APPARDKCNH2GPR119
SCHEMBL20249418 0.81 ALDH1A1 (0.47) LTA4HKMT2AKCNH2GPR119
SCHEMBL20249158 0.81 ALDH1A1 (0.47) LTA4HKMT2AKCNH2GPR119

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 HRH3 2304/4885ACHE 4631/4885LTA4H 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.