SCHEMBL5424932

SCHEMBL5424932

CCOC(=O)c1nc(C2(OCCO)CCC2)n(C)c(=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.33
GABRA5 P31644 9/20 0.33
GABRG2 P18507 8/20 0.33
GABRB3 P28472 8/20 0.33
GABRA3 P34903 8/20 0.33
GABRA2 P47869 8/20 0.33
GABRB2 P47870 5/20 0.33
GABRA6 Q16445 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
GABRA4 P48169 2/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL52189 0.79 OGFRL1 (0.32) OGFRL1
SCHEMBL1170226 0.78 LMNA (0.36) ALDH1A1ALOX15KDM4EMAPTMEN1
SCHEMBL12864836 0.76 LMNA (0.36) ALDH1A1ALOX15KDM4EMAPTMEN1
SCHEMBL5333442 0.75 OGFRL1 (0.35) GABRA1GABRA5ALDH1A1ALOX15KDM4E
SCHEMBL5338002 0.75 KDM4E (0.34) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL14064602 0.73 KDM4E (0.38) ALDH1A1ALOX15KDM4EMAPTMEN1
SCHEMBL1169995 0.72 LMNA (0.35) ALDH1A1ALOX15KDM4EMAPTMEN1
SCHEMBL13691527 0.71 ALDH1A1 (0.33) ALDH1A1ALOX15KDM4EMAPTOGFRL1
SCHEMBL6086735 0.70 MAPK1 (0.36) ALDH1A1ALOX15KDM4EMAPTMEN1
SCHEMBL6087140 0.70 MAPK1 (0.40) ALDH1A1ALOX15KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 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-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 GABRA1 1728/4885GABRA5 1505/4885GABRG2 2397/4885

“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.