SCHEMBL20249351

SCHEMBL20249351

CC(C)(O)CN1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
AR P10275 1/20 0.37
RET P07949 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
OGA O60502 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SCD O00767 1/20 0.33
ALOX5AP P20292 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
SCHEMBL20249301 0.88 TRPV1 (0.36) TRPV1ARVEGFAEGLN1GPR119
SCHEMBL20249395 0.85 OGA (0.39) TRPV1ARRETOGA
SCHEMBL20249352 0.85 TRPV1 (0.39) TRPV1VEGFAEGLN1GPR119OGA
SCHEMBL18291192 0.84 OGA (0.40) ARRETPIK3CAMTORTLR9
SCHEMBL20038093 0.82 OGA (0.41) TRPV1ARRETPIK3CAMTOR
SCHEMBL20249151 0.82 GAA (0.47) TRPV1KDM4EGAA
SCHEMBL20249349 0.80 DRD2 (0.43) TRPV1RETOGA
SCHEMBL20249320 0.79 OGA (0.39) TRPV1RETTLR9TLR8VEGFA
SCHEMBL20249389 0.79 ALDH1A1 (0.42) TRPV1VEGFAEGLN1GPR119GAA
SCHEMBL20249379 0.78 POLB (0.36) TRPV1ARRETVEGFAEGLN1

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 TRPV1 3672/4885AR 1169/4885RET 577/4885

“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.