SCHEMBL20249304

SCHEMBL20249304

CC(CO)N1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.42
SCN9A Q15858 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
TRPV1 Q8NER1 1/20 0.36
PANK3 Q9H999 4/20 0.35
GPR119 Q8TDV5 1/20 0.34
SLC6A9 P48067 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20249325 0.84 HRH3 (0.48) OGAHRH3TRPV1PANK3KDM4E
SCHEMBL20038121 0.80 OGA (0.52) OGASCN9AHRH3PANK3TLR9
SCHEMBL20249352 0.80 TRPV1 (0.39) OGAHRH3TRPV1GPR119KDM4E
SCHEMBL20249349 0.78 DRD2 (0.43) OGATRPV1PANK3
SCHEMBL20249387 0.78 OGA (0.42) OGAHRH3TRPV1PANK3SLC6A9
SCHEMBL20249320 0.77 OGA (0.39) OGATRPV1PANK3TLR9TLR8
SCHEMBL20249151 0.77 GAA (0.47) TRPV1KDM4E
SCHEMBL20249268 0.76 HRH4 (0.51) HRH3KDM4E
SCHEMBL20249439 0.75 TRPV1 (0.49) TRPV1PANK3GPR119SLC6A9
SCHEMBL20249362 0.75 TRPV1 (0.46) TRPV1PANK3GPR119KDM4E

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 OGA 4627/4885SCN9A 3308/4885HRH3 2304/4885

“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.