SCHEMBL51907

SCHEMBL51907

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N(CC)Cc2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
OGFRL1 Q5TC84 8/20 0.35
OPRM1 P35372 5/20 0.34
OPRK1 P41145 5/20 0.34
OPRD1 P41143 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL51693 0.91 ALDH1A1 (0.38) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL62828 0.86
SCHEMBL87131 0.85
SCHEMBL61868 0.83 ALDH1A1 (0.34) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL61874 0.83 ALDH1A1 (0.37) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL51511 0.82 ALDH1A1 (0.37) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL62985 0.82 OGFRL1 (0.36) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL51522 0.81 OGFRL1 (0.36) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL52078 0.81 OGFRL1 (0.36) ALDH1A1OGFRL1OPRM1OPRK1OPRD1
SCHEMBL51812 0.80 HPGD (0.35) OGFRL1OPRM1OPRK1OPRD1KMT2A

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 7 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
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 ALDH1A1 539/4885OGFRL1 3981/4885OPRM1 3627/4885

“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.