SCHEMBL51854

SCHEMBL51854

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N(C)C(=O)C(=O)N2CC[C@@H](F)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
CCR8 P51685 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
OGFRL1 Q5TC84 6/20 0.31
OPRM1 P35372 4/20 0.30
OPRK1 P41145 4/20 0.30
OPRD1 P41143 3/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 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
SCHEMBL62145 0.87
SCHEMBL61868 0.87 ALDH1A1 (0.34) CCR8ALDH1A1L3MBTL1OGFRL1OPRM1
SCHEMBL13691635 0.85
SCHEMBL51693 0.82 ALDH1A1 (0.38) ALDH1A1L3MBTL1OGFRL1OPRM1OPRK1
SCHEMBL1118663 0.80
SCHEMBL61874 0.79 ALDH1A1 (0.37) ALDH1A1L3MBTL1OGFRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL51511 0.78 ALDH1A1 (0.37) ALDH1A1L3MBTL1OGFRL1OPRM1OPRK1
SCHEMBL51508 0.78 OGFRL1 (0.33) CCR8ALDH1A1TSHRL3MBTL1OGFRL1
SCHEMBL62985 0.78 OGFRL1 (0.36) CCR8ALDH1A1TSHRL3MBTL1OGFRL1
SCHEMBL52078 0.77 OGFRL1 (0.36) CCR8ALDH1A1TSHRL3MBTL1OGFRL1

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
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
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 DPP4 1850/4885DPP7 1603/4885CCR8 3235/4885

“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.