SCHEMBL20249397

SCHEMBL20249397

CC1(C)CN(c2ccc(C(C)(C)C)nc2)C(=O)CN1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.40
AR P10275 1/20 0.34
GRM5 P41594 1/20 0.33
OPRM1 P35372 8/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
LOX P28300 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL18291476 0.82 CHRNB2 (0.38) OPRL1ARGRM5OPRM1SLC6A2
SCHEMBL20037467 0.81 OPRL1 (0.34) OPRL1ARGRM5OPRM1SLC6A2
SCHEMBL20249269 0.78 SLC6A2 (0.36) OPRL1GRM5SLC6A2SLC6A4SLC6A3
SCHEMBL20249275 0.76 ALDH1A1 (0.39) OPRL1LOX
SCHEMBL20249234 0.75 OPRL1 (0.34) OPRL1ARSIGMAR1RAB9ASMN1; SMN2
SCHEMBL20249262 0.74 SLC6A2 (0.51) OPRL1SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL20249413 0.74 SLC6A2 (0.39) OPRL1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL291894 0.74 MAPT (0.43) GRM5OPRM1SLC6A2SIGMAR1RAB9A
SCHEMBL20249102 0.73 CDK4 (0.43)
SCHEMBL292131 0.73 AR (0.43) ARGRM5SLC6A2SLC6A4SLC6A3

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 OPRL1 4655/4885AR 1169/4885GRM5 2334/4885

“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.