SCHEMBL63586

SCHEMBL63586

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
OGFRL1 Q5TC84 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CYP2C9 P11712 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
SCHEMBL52587 0.89 CYP2C9 (0.32) CYP2C9
SCHEMBL52369 0.83 KMT2A (0.32) KMT2AOGFRL1OPRM1OPRD1OPRK1
SCHEMBL51560 0.81 OGFRL1 (0.34) KMT2AOGFRL1OPRM1OPRD1OPRK1
SCHEMBL63010 0.78 OGFRL1 (0.33) KMT2AOGFRL1OPRM1OPRD1OPRK1
SCHEMBL52189 0.77 OGFRL1 (0.32) OGFRL1OPRM1OPRD1OPRK1
SCHEMBL53197 0.76 CYP2C9 (0.58) KMT2ACYP2C9
SCHEMBL13657351 0.76 OGFRL1 (0.37) KMT2AOGFRL1OPRM1OPRD1OPRK1
SCHEMBL51612 0.75 CYP2C9 (0.47) CYP2C9
SCHEMBL61868 0.74 ALDH1A1 (0.34) KMT2AOGFRL1OPRM1OPRD1OPRK1
SCHEMBL51466 0.74 OGFRL1 (0.34) KMT2AOGFRL1OPRM1OPRD1OPRK1

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 2 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-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US 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 KMT2A 1339/4885OGFRL1 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.