SCHEMBL2404441

SCHEMBL2404441

Cc1cccc(CC(=O)N(C)C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
CCR5 P51681 6/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.47
MAP4K4 O95819 1/20 0.47
CTBP2 P56545 1/20 0.47
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 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
SCHEMBL17896798 0.94 NPC1 (0.56) NPC1CCR5POLBLMNAMAP4K4
SCHEMBL31705840 0.82 CCR5 (0.50) CCR5MAP4K4KCNH2SIGMAR1
SCHEMBL13434079 0.82 CCR5 (0.63) CCR5KCNH2SIGMAR1
SCHEMBL2404816 0.81 CCR5 (0.66) CCR5POLBCTBP2SIGMAR1KMT2A
SCHEMBL2407533 0.81 KCNH2 (0.49) NPC1CCR5POLBKCNH2SIGMAR1
SCHEMBL12569388 0.80 CTBP2 (0.54) NPC1POLBCTBP2
SCHEMBL2404555 0.80 CCR5 (0.44) CCR5KCNH2SIGMAR1KMT2AOPRD1
SCHEMBL31705847 0.79 LOXL2 (0.54) CCR5MAP4K4SIGMAR1KMT2A
SCHEMBL19518893 0.79 NPC1 (0.42) NPC1POLBLMNACTBP2SIGMAR1
SCHEMBL21880658 0.79 NPC1 (0.42) NPC1POLBLMNACTBP2SIGMAR1

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 NPC1 1540/4885CCR5 2055/4885POLB 4374/4885

“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.