SCHEMBL5576515

SCHEMBL5576515

CC(C)(C)OC(=O)N1CCC(N[C@@H](CNC2CCCCC2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR119 Q8TDV5 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
STS P08842 1/20 0.46
USP30 Q70CQ3 3/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
CCR8 P51685 1/20 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
SCHEMBL3754554 0.90 GPR119 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5575420 0.90 GPR119 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5576735 0.88 STS (0.51) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL5572863 0.86 ALDH1A1 (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL5576143 0.85 ALDH1A1 (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL4597864 0.85 ALDH1A1 (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL6505071 0.85 ALDH1A1 (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL21074855 0.84 KDM4E (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL22467690 0.84 KDM4E (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL6498471 0.84 KDM4E (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 EPHX1 1750/4885ALDH1A1 3484/4885NPC1 473/4885

“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.