SCHEMBL5576735

SCHEMBL5576735

CC(C)(C)OC(=O)N1CCC(N[C@@H](CNC2CCCCC2)c2cccc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.51
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 1/20 0.41
BCHE P06276 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL4610832 0.91 STS (0.49) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5576515 0.88 EPHX1 (0.53) STSEPHX1ALDH1A1NPC1MAPT
SCHEMBL4608693 0.88 STS (0.53) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5575926 0.87 STS (0.57) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL4597915 0.85 STS (0.52) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL4596528 0.84 ALDH1A1 (0.48) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5576153 0.84 STS (0.49) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5573773 0.83 ALDH1A1 (0.49) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL4608779 0.83 STS (0.49) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5576653 0.82 BCHE (0.45) NPC1RAB9ABCHE

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 STS 4841/4885EPHX1 1750/4885ALDH1A1 3484/4885

“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.