SCHEMBL2405257

SCHEMBL2405257

COc1ccc(CC(=O)N(C)C2CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.62
SIGMAR1 Q99720 2/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.53
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
ALOX5 P09917 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL31473504 0.93 CCR5 (0.56) CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2
SCHEMBL11394433 0.93 SIGMAR1 (0.64) CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2
SCHEMBL5860907 0.90 CCR5 (0.56) CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2
SCHEMBL2406118 0.84 CCR5 (0.61) CCR5SIGMAR1PTGDR2ALDH1A1
SCHEMBL5862792 0.83 KCNH2 (0.72) CCR5SIGMAR1
SCHEMBL8987850 0.82 CCR5 (0.54) CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2
SCHEMBL2404203 0.82 CCR5 (0.65) CCR5SIGMAR1EPHX2
SCHEMBL2404816 0.82 CCR5 (0.66) CCR5SIGMAR1ALDH1A1
SCHEMBL2407533 0.82 KCNH2 (0.49) CCR5SIGMAR1
SCHEMBL2405156 0.82 CCR5 (0.60) CCR5SIGMAR1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CCR5 2055/4885SIGMAR1 108/4885PTGDR2 389/4885

“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.