SCHEMBL2404203

SCHEMBL2404203

CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.65
KCNH2 Q12809 4/20 0.51
GPR119 Q8TDV5 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FASN P49327 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
EPHX2 P34913 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GCGR P47871 1/20 0.43
GIPR P48546 1/20 0.43

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
SCHEMBL3048697 0.90 CCR5 (0.70) CCR5KCNH2GPR119
SCHEMBL2408897 0.82 KCNH2 (0.69) CCR5KCNH2GPR119OPRK1
SCHEMBL2405257 0.82 CCR5 (0.62) CCR5EPHX2SIGMAR1
SCHEMBL8987850 0.78 CCR5 (0.54) CCR5KCNH2GPR119L3MBTL1EPHX2
SCHEMBL2407533 0.77 KCNH2 (0.49) CCR5KCNH2GPR119SIGMAR1
SCHEMBL2405156 0.77 CCR5 (0.60) CCR5KCNH2GPR119SIGMAR1
SCHEMBL27835426 0.77 CCR5 (0.64) CCR5KCNH2GPR119SIGMAR1
SCHEMBL31473504 0.77 CCR5 (0.56) CCR5EPHX2SIGMAR1
SCHEMBL3052139 0.76 CCR5 (0.57) CCR5KCNH2SIGMAR1OPRD1OPRK1
SCHEMBL11394433 0.76 SIGMAR1 (0.64) CCR5EPHX2SIGMAR1

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 2055/4885KCNH2 498/4885GPR119 60/4885

“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.