SCHEMBL52302

SCHEMBL52302

CCOC(=O)c1nc2n(c(=O)c1O)C[C@@H]1CCC[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 7/20 0.35
OPRM1 P35372 5/20 0.35
OPRK1 P41145 5/20 0.35
OPRD1 P41143 4/20 0.35
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
ELANE P08246 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 3/20 0.31
FEN1 P39748 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL61820 0.77 OGFRL1 (0.37) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL62910 0.74 OGFRL1 (0.35) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL51652 0.71 OGFRL1 (0.33) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL12225747 0.71 ADORA2A (0.41) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL4038494 0.70 OGFRL1 (0.35) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL13691642 0.70 OGFRL1 (0.36) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL4036520 0.70 ALDH1A1 (0.36) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL51443 0.70 CHRNB2 (0.47)
SCHEMBL63465 0.69 GRM1 (0.34) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL13691567 0.69 ALDH1A1 (0.34) OGFRL1OPRM1OPRK1OPRD1ALDH1A1

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
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG OGFRL1 3981/4885OPRM1 3627/4885OPRK1 2145/4885

“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.