SCHEMBL6694929

SCHEMBL6694929

CN(C(=O)CCc1ccccc1)C1CCC(O)(c2ccc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.43
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
ALOX5 P09917 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL6694922 1.00 CCR5 (0.43) CCR5FFAR1FFAR4P4HTMLTB4R
SCHEMBL6694926 1.00 CCR5 (0.43) CCR5FFAR1FFAR4P4HTMLTB4R
SCHEMBL5961235 0.88 ME2 (0.43) SIGMAR1L3MBTL1
SCHEMBL6700021 0.88 ME2 (0.43) SIGMAR1L3MBTL1
SCHEMBL6700517 0.84 FFAR1 (0.44) CCR5FFAR1FFAR4P4HTMLTB4R
SCHEMBL6700513 0.84 FFAR1 (0.44) CCR5FFAR1FFAR4P4HTMLTB4R
SCHEMBL6702029 0.80 SCN3A (0.39) CCR5FFAR1P4HTMACACBACACA
SCHEMBL6702034 0.80 SCN3A (0.39) CCR5FFAR1P4HTMACACBACACA
SCHEMBL6702030 0.80 SCN3A (0.39) CCR5FFAR1P4HTMACACBACACA
SCHEMBL6700317 0.79 ME2 (0.35) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists KAWAI MAKOTO (JP) 2004-08-05 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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists GRIN1, GRIN3A, GRIN2A CCR5 573/4885FFAR1 135/4885FFAR4 249/4885

“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.