SCHEMBL20980205

SCHEMBL20980205

CC(C)N1CCC(NCC(O)CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
ADRB2 P07550 2/20 0.39
HRH3 Q9Y5N1 4/20 0.38
KDM1A O60341 1/20 0.37
PTPN11 Q06124 2/20 0.36
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACKR3 P25106 1/20 0.32

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
SCHEMBL25854983 0.86 KDM4E (0.44) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL25854980 0.86 KDM4E (0.44) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL16015326 0.86 KDM4E (0.44) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL20991788 0.84 HRH3 (0.40) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL19090935 0.82 KDM4E (0.38) KDM4EHTTSMN1; SMN2HRH1HRH4
SCHEMBL16015488 0.82 ADRB1 (0.49) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL25854986 0.82 ADRB1 (0.44) KDM4EHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL16015325 0.81 HRH3 (0.43) KDM4EHTTSMN1; SMN2HRH3KDM1A
SCHEMBL22520369 0.80 HTT (0.31) KDM4EHTTSMN1; SMN2
SCHEMBL18269489 0.80 HRH3 (0.42) KDM4EHTTSMN1; SMN2HRH3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS 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 (4 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 KDM4E 2045/4885HTT 2485/4885SMN1; SMN2 1166/4885
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP KDM4E 1839/4885HTT 2291/4885SMN1; SMN2 1077/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA KDM4E 1307/4885HTT 2754/4885SMN1; SMN2 1823/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP KDM4E 1839/4885HTT 2291/4885SMN1; SMN2 1077/4885

“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.