SCHEMBL51673

SCHEMBL51673

COCCOC12CCC(CC1)Cn1c2nc(C(=O)OC)c(OCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 3/20 0.33
CNR2 P34972 3/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
AVPR1B P47901 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
SCHEMBL87253 0.86 MMP9 (0.31) ALDH1A1CNR2SLC6A5
SCHEMBL52083 0.85 HPGD (0.38) LMNAHPGDKDM4EKMT2AMEN1
SCHEMBL62662 0.84 MAOB (0.33) LMNAHPGDKDM4EKMT2AMEN1
SCHEMBL51931 0.82 HPGD (0.40) HPGDKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL62833 0.82 MAOB (0.33) LMNAHPGDKDM4EKMT2AMEN1
SCHEMBL53152 0.80 HPGD (0.38) HPGDKDM4EKMT2AMEN1HTT
SCHEMBL63561 0.79 HPGD (0.32) LMNAHPGDSLC6A5SMN1; SMN2
SCHEMBL9905086 0.75 HPGD (0.39) HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL9905376 0.75 OPRM1 (0.35) HPGDKDM4EKMT2AMEN1NPC1
SCHEMBL51826 0.74 OGFRL1 (0.35) LMNAHPGDKDM4EKMT2AMEN1

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 7 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
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
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 LMNA 1838/4885HPGD 1406/4885KDM4E 1609/4885

“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.