SCHEMBL5646359

SCHEMBL5646359

CCOC(=O)c1nc2n(c(=O)c1O)CC(=O)N1CCCN21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
KDM5B Q9UGL1 2/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5644226 0.98 MAPT (0.36) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL5645061 0.83 KDM5B (0.36) KDM4EMAPTKDM5BALDH1A1NPC1
SCHEMBL5538575 0.81 KDM5B (0.36) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL5643178 0.76 KDM4E (0.39) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL12777983 0.73 POLB (0.47) KDM4EMAPTALDH1A1RAB9APOLB
SCHEMBL4392397 0.72 KDM5B (0.34) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL1169950 0.71 MAPT (0.43) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL5646275 0.70 CYP1A2 (0.47) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL14064595 0.70 KDM4E (0.38) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL13647713 0.70 KDM5B (0.37) OPRM1OPRD1OPRK1OGFRL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C OPRM1 3606/4885OPRD1 2622/4885OPRK1 2221/4885

“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.