SCHEMBL6093771

SCHEMBL6093771

CCOC(=O)c1nc(N2CCC(OC(=O)C(F)(F)F)CC2)n(C)c(=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM4 P08173 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRK1 P41145 4/20 0.32
OGFRL1 Q5TC84 3/20 0.32
OPRD1 P41143 2/20 0.32
DGAT1 O75907 1/20 0.32
MLNR O43193 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL6093597 0.79 HTT (0.52) LMNAPOLBMAPK1HTTALDH1A1
SCHEMBL6094714 0.77 MAPT (0.40) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6087140 0.77 MAPK1 (0.40) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6094150 0.76 MAPT (0.38) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6087943 0.74 LMNA (0.36) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6086735 0.73 MAPK1 (0.36) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6087228 0.73 CYP11B1 (0.39) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6087462 0.72 HTT (0.37) LMNAPOLBMAPK1TRPV4HTT
SCHEMBL6095015 0.71 LMNA (0.39) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL6094694 0.71 CALCA (0.36) LMNAPOLBMAPK1NPC1RAB9A

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-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 LMNA 3550/4885POLB 23/4885MAPK1 2219/4885

“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.