SCHEMBL20959583

SCHEMBL20959583

COC1CCC(N)(CN)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42

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
SCHEMBL24643163 0.75 DPP4 (0.37) DPP4SLC6A4SLC6A3
SCHEMBL6124708 0.74 DPP4 (0.46) DPP4SLC6A4SLC6A3
SCHEMBL13167986 0.73 ALDH1A1 (0.44) DPP4SLC6A4SLC6A3
SCHEMBL12852762 0.73 ALDH1A1 (0.44) DPP4SLC6A4SLC6A3
SCHEMBL10190250 0.73 ALDH1A1 (0.44) DPP4SLC6A4SLC6A3
SCHEMBL6127933 0.72 DPP4 (0.45) DPP4SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL600921 0.71 ALDH1A1 (0.43) DPP4SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL600920 0.71 ALDH1A1 (0.43) DPP4SLC6A4SLC6A3
SCHEMBL11913043 0.71 DPP4 (0.36) DPP4SLC6A4SLC6A3
SCHEMBL20959518 0.70 DPP4 (0.36) DPP4SLC6A4SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
CN-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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 (3 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD DPP4 3279/4885SLC6A4 3172/4885SLC6A3 3566/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD DPP4 3279/4885SLC6A4 3172/4885SLC6A3 3566/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA DPP4 1556/4885SLC6A4 3075/4885SLC6A3 2915/4885

“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.