SCHEMBL20249269

SCHEMBL20249269

CC(C)(C)c1ccc(N2CC3(CNC3)CC2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRL1 P41146 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRM5 P41594 2/20 0.32
ACACB O00763 4/20 0.32
ACACA Q13085 4/20 0.32
CDK4 P11802 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL20038151 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3GRM5ACACB
SCHEMBL18291645 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3GRM5ACACB
SCHEMBL20249243 0.78 CDK4 (0.40) CDK4
SCHEMBL20249397 0.78 OPRL1 (0.40) SLC6A2SLC6A4SLC6A3OPRL1SIGMAR1
SCHEMBL30329301 0.75 OPRL1 (0.45) OPRL1SIGMAR1GRM5ACACBACACA
Hydrochloric Acid SCHEMBL30329056 0.74 OPRL1 (0.44) SLC6A2SLC6A4SLC6A3OPRL1SIGMAR1
SCHEMBL21423162 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL20249254 0.71 HTR6 (0.40) SLC6A2
SCHEMBL20249248 0.71 TSHR (0.41) CDK4
SCHEMBL20249282 0.71 RAB9A (0.36) OPRL1CDK4

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 SLC6A2 2659/4885SLC6A4 1825/4885SLC6A3 1635/4885

“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.