SCHEMBL2525564

SCHEMBL2525564

CN1CCN(c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOCC32CCOCC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
P2RX7 Q99572 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CXCR2 P25025 1/20 0.31
SCD O00767 2/20 0.31
MAPK8 P45983 2/20 0.31
NME2 P22392 1/20 0.31
ADORA2A P29274 1/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
KCNK3 O14649 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
SCHEMBL2528453 0.90 MGAT2 (0.37) CNR2P2RX7CXCR2MAPK8NME2
SCHEMBL2525857 0.88 NME2 (0.32) CNR2MAPK8NME2HTR2CMCHR1
SCHEMBL12215865 0.88 NME2 (0.32) CNR2MAPK8NME2HTR2CMCHR1
SCHEMBL2526008 0.87 MYC (0.33) CNR2P2RX7MAPK8NME2
SCHEMBL2531640 0.87 PIK3CB (0.35) CNR2CXCR2MAPK8HTR2CMCHR1
SCHEMBL2530261 0.87 MYC (0.32) CNR2P2RX7MAPK8NME2HTR2C
SCHEMBL2524336 0.87 MYC (0.32) CNR2P2RX7MAPK8NME2ADORA2A
SCHEMBL2524386 0.87 CYP2C9 (0.35) CNR2P2RX7CYP2C9KCNK3
SCHEMBL2528775 0.86 MYC (0.33) CNR2P2RX7MAPK8NME2HTR2C
SCHEMBL2528535 0.86 F2 (0.35) CXCR2MAPK8HTR2CMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 CNR2 4499/4885P2RX7 2184/4885CYP3A4 506/4885

“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.