SCHEMBL20249377

SCHEMBL20249377

CC1NCCCN(c2ccc(C(C)(C)C)nc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.55
SLC6A4 P31645 10/20 0.55
SLC6A3 Q01959 9/20 0.55
ATM Q13315 1/20 0.36
AKR1C3 P42330 8/20 0.34
SIGMAR1 Q99720 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
SCHEMBL20249231 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20249225 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL18291586 0.83 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20038339 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20255396 0.80 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20249361 0.78 SIGMAR1 (0.33) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL20249262 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3AKR1C3
SCHEMBL20249312 0.77 PIM1 (0.38) AKR1C3
SCHEMBL20249438 0.77 IDH1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL20249454 0.77 IDH1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1

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 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.