SCHEMBL61820

SCHEMBL61820

CCOC(=O)c1nc2n(c(=O)c1O)CC1CCCC2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 8/20 0.37
OPRM1 P35372 5/20 0.37
OPRK1 P41145 5/20 0.37
OPRD1 P41143 4/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CSNK1D P48730 1/20 0.32
MAPT P10636 2/20 0.32
KDM5B Q9UGL1 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
SCHEMBL62910 0.93 OGFRL1 (0.35) OGFRL1OPRM1OPRK1OPRD1CHRNB2
SCHEMBL51652 0.85 OGFRL1 (0.33) OGFRL1OPRM1OPRK1OPRD1CHRNB2
SCHEMBL51443 0.83 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL63465 0.79 GRM1 (0.34) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL12225747 0.79 ADORA2A (0.41) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL62081 0.78 CHRNB2 (0.34) OGFRL1OPRM1OPRK1OPRD1CHRNB2
SCHEMBL51875 0.78 CHRNB2 (0.34) OGFRL1OPRM1OPRK1OPRD1CHRNB2
SCHEMBL51876 0.78
SCHEMBL51828 0.77 SMN1; SMN2 (0.37) OGFRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL52302 0.77 OGFRL1 (0.35) OGFRL1OPRM1OPRK1OPRD1KDM4E

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.