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SCHEMBL51560

SCHEMBL51560

CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 6/20 0.34
▸ OPRM1 P35372 4/20 0.34
▸ OPRK1 P41145 4/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 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
SCHEMBL63010 0.94 OGFRL1 (0.33) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL63106 0.88 OGFRL1 (0.34) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL51466 0.88 OGFRL1 (0.34) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL52189 0.82 OGFRL1 (0.32) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL63510 0.82 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL63586 0.81 KMT2A (0.31) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL61874 0.80 ALDH1A1 (0.37) OGFRL1OPRM1OPRK1OPRD1KMT2A
Hydrochloric Acid SCHEMBL51511 0.80 ALDH1A1 (0.37) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL13657351 0.80 OGFRL1 (0.37) OGFRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL52369 0.79 KMT2A (0.32) 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 10 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
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
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
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.