SCHEMBL1773571

SCHEMBL1773571

CC(C)(C)OC(=O)N1CCC(CC/C=C\C#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 8/20 0.43
FAAH O00519 1/20 0.42
EPHX1 P07099 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1773493 1.00 HPGD (0.47) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL1773494 1.00 HPGD (0.47) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL1772647 0.88 EPHX1 (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL1498949 0.88 EPHX1 (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL1772649 0.88 EPHX1 (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL19851880 0.82 HPGD (0.50) HPGDRECQLKDM4EPKMGPR119
SCHEMBL22907013 0.82 HPGD (0.47) HPGDALDH1A1KMT2ARECQLKDM4E
SCHEMBL1576006 0.80 HPGD (0.50) HPGDRECQLKDM4EPKMGPR119
SCHEMBL4480474 0.80 HPGD (0.45) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL4480470 0.80 HPGD (0.45) HPGDMEN1ALDH1A1MAPTKMT2A

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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 HPGD 734/4885MEN1 2513/4885ALDH1A1 1179/4885

“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.