SCHEMBL2405156

SCHEMBL2405156

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.60
KCNH2 Q12809 4/20 0.49
CA2 P00918 2/20 0.46
CAMK2A Q9UQM7 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL2407533 0.86 KCNH2 (0.49) CCR5KCNH2GPR119NPC1RAB9A
SCHEMBL13434079 0.84 CCR5 (0.63) CCR5KCNH2SIGMAR1
SCHEMBL2406788 0.82 CCR5 (0.62) CCR5KCNH2GPR119SIGMAR1
SCHEMBL2408897 0.82 KCNH2 (0.69) CCR5KCNH2GPR119
SCHEMBL2405257 0.82 CCR5 (0.62) CCR5SIGMAR1
SCHEMBL1512619 0.81 KCNH2 (0.47) CCR5KCNH2CA2GPR119
SCHEMBL27835426 0.80 CCR5 (0.64) CCR5KCNH2GPR119NPC1RAB9A
SCHEMBL2404555 0.79 CCR5 (0.44) CCR5KCNH2GPR119RAB9ASIGMAR1
SCHEMBL14297341 0.79 NPC1 (0.55) CCR5KCNH2NPC1RAB9ASIGMAR1
SCHEMBL2575803 0.78 MEN1 (0.51) CCR5KCNH2SIGMAR1

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 498/4885CA2 985/4885

“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.