SCHEMBL20249159

SCHEMBL20249159

CC(C)(C)c1ccc(N2CCN(C=O)CC2=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
OPRL1 P41146 1/20 0.32
LOX P28300 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 2/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
AKR1C3 P42330 2/20 0.31
DPP4 P27487 1/20 0.30
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DRD2 P14416 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
SCHEMBL20249115 0.82 SLC6A2 (0.42) DRD3KCNH2TP53TSHR
SCHEMBL18291377 0.82 DRD3 (0.48) DRD3KCNH2AKR1C3
SCHEMBL20037590 0.81 MTOR (0.35) DRD3KCNH2AKR1C3
SCHEMBL20037981 0.80 DRD3 (0.33) DRD3KCNH2AKR1C3
SCHEMBL20249308 0.79 HRH3 (0.38) DRD3KCNH2TP53TSHRAKR1C3
SCHEMBL24179944 0.78 MAPT (0.50) DRD3KCNH2CTSGCMA1MEN1
SCHEMBL20249319 0.78 DRD3 (0.35) DRD3KCNH2TP53TSHRDPP4
SCHEMBL17207184 0.76 AKR1C3 (0.51) TP53TSHRAKR1C3MEN1KMT2A
SCHEMBL20249309 0.76 GAA (0.37) DRD3KCNH2OPRL1TSHRSIGMAR1
SCHEMBL20249300 0.76 PIK3CD (0.43) DRD3KCNH2DPP4

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 1 patent. 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

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 DRD3 1769/4885KCNH2 3160/4885OPRL1 4655/4885

“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.