SCHEMBL20249349

SCHEMBL20249349

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A3 Q01959 2/20 0.38
DRD4 P21917 1/20 0.38
OGA O60502 1/20 0.37
PANK3 Q9H999 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
RET P07949 2/20 0.36

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
SCHEMBL20249320 0.89 OGA (0.39) MEN1KMT2AOGAPANK3TRPV1
SCHEMBL20249352 0.82 TRPV1 (0.39) OGATRPV1
SCHEMBL20255523 0.81 DRD2 (0.46) DRD2DRD3MEN1KMT2ASLC6A3
SCHEMBL20249351 0.80 TRPV1 (0.38) OGATRPV1RET
SCHEMBL20249151 0.80 GAA (0.47) DRD2DRD3MEN1KMT2ATRPV1
SCHEMBL20038242 0.80 OGA (0.46) DRD2DRD3MEN1KMT2ASLC6A3
SCHEMBL20249301 0.80 TRPV1 (0.36) OGATRPV1
SCHEMBL20249325 0.78 HRH3 (0.48) OGAPANK3TRPV1
SCHEMBL20249304 0.78 OGA (0.42) OGAPANK3TRPV1
SCHEMBL20249395 0.77 OGA (0.39) DRD2DRD3OGAPANK3TRPV1

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 DRD2 1592/4885DRD3 1769/4885MEN1 2609/4885

“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.