SCHEMBL5573872

SCHEMBL5573872

COC(=O)N1C[C@@H](CC(C)C)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
MMP3 P08254 1/20 0.39
ADAM17 P78536 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PKM P14618 1/20 0.38
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37

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
SCHEMBL5573878 1.00 MAPT (0.40) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4597312 0.82 FFAR3 (0.30)
SCHEMBL5576648 0.78 GPR119 (0.43) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4597821 0.78 GPR119 (0.43) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4597797 0.76 GPR119 (0.47) MAPTALDH1A1KDM4ETHRBGPR119
SCHEMBL5576545 0.76 GPR119 (0.47) MAPTALDH1A1KDM4ETHRBGPR119
SCHEMBL13733627 0.73 KLK7 (0.35) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL104996 0.71 HPGD (0.51) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL18479684 0.69 GPR119 (0.46) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL22081121 0.69 NR1H2 (0.47) MAPTALDH1A1NPC1MAPK1HTT

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 MAPT 3432/4885ALDH1A1 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.