SCHEMBL63465

SCHEMBL63465

CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC(C1)C2N(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.34
KMT2A Q03164 1/20 0.32
OGFRL1 Q5TC84 7/20 0.32
OPRM1 P35372 5/20 0.32
OPRK1 P41145 5/20 0.32
OPRD1 P41143 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL52145 0.83 SIGMAR1 (0.37) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL62910 0.83 OGFRL1 (0.35) KMT2AOGFRL1OPRM1OPRK1OPRD1
SCHEMBL63269 0.82 ALDH1A1 (0.36) KMT2AOGFRL1OPRM1OPRK1OPRD1
SCHEMBL61820 0.79 OGFRL1 (0.37) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL63436 0.75 KCNH2 (0.56) KMT2ATSHR
SCHEMBL51443 0.74 CHRNB2 (0.47)
SCHEMBL51652 0.73 OGFRL1 (0.33) KMT2AOGFRL1OPRM1OPRK1OPRD1
SCHEMBL52025 0.72 SIGMAR1 (0.35) KMT2AOGFRL1OPRM1OPRK1OPRD1
SCHEMBL51560 0.70 OGFRL1 (0.34) KMT2AOGFRL1OPRM1OPRK1OPRD1
SCHEMBL63010 0.69 OGFRL1 (0.33) KMT2AOGFRL1OPRM1OPRK1OPRD1

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 GRM1 4759/4885KMT2A 1339/4885OGFRL1 3981/4885

“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.