SCHEMBL20249487

SCHEMBL20249487

CC(C)(C)c1ccc(C2CCN(C(C)(C)C(=O)O)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 12/20 0.40
GLS O94925 1/20 0.33
DRD2 P14416 3/20 0.32
DRD4 P21917 3/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
HTR1A P08908 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL20038378 0.83 TRPC6 (0.38) TRPC6GLSDRD2DRD4HTR1A
SCHEMBL20249459 0.80 KDM4E (0.40) TRPC6TP53KDM4EMAPK14
SCHEMBL20249360 0.74 TRPV1 (0.43) KDM4E
SCHEMBL20249166 0.71 HRH4 (0.37)
SCHEMBL20037442 0.69 TNKS (0.41) KDM4EMAPK14
SCHEMBL31292514 0.69 GLS (0.36) TRPC6GLSKDM4E
SCHEMBL20038275 0.69 KDM4E (0.40) TRPC6KDM4EKCNH2MAPK14
SCHEMBL31292199 0.67 CNR2 (0.42) TRPC6GLS
Hydrochloric Acid SCHEMBL14159622 0.67
SCHEMBL20249463 0.66 LMNA (0.44) TP53KDM4E

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 TRPC6 914/4885GLS 1157/4885DRD2 1592/4885

“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.