SCHEMBL51508

SCHEMBL51508

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(NC(=O)C(=O)N(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 7/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
OPRM1 P35372 5/20 0.33
OPRK1 P41145 5/20 0.33
OPRD1 P41143 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MTOR P42345 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
CCR8 P51685 1/20 0.32
DRD4 P21917 1/20 0.32
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
SCHEMBL13657326 0.91 OGFRL1 (0.34) OGFRL1TSHRMAPK1OPRM1OPRK1
SCHEMBL62985 0.88 OGFRL1 (0.36) OGFRL1TSHROPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL51522 0.87 OGFRL1 (0.36) OGFRL1TSHROPRM1OPRK1OPRD1
SCHEMBL52078 0.87 OGFRL1 (0.36) OGFRL1TSHROPRM1OPRK1OPRD1
SCHEMBL62820 0.86
SCHEMBL51812 0.86 HPGD (0.35) OGFRL1TSHRMAPK1OPRM1OPRK1
SCHEMBL52369 0.83 KMT2A (0.32) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL61868 0.83 ALDH1A1 (0.34) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL13691505 0.83
SCHEMBL61874 0.83 ALDH1A1 (0.37) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
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
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP 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 3981/4885TSHR 4845/4885MAPK1 648/4885

“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.