SCHEMBL4240461

SCHEMBL4240461

CC(C)(C)OC(=O)N1CCC(NC(c2ccc(C#N)cc2)c2ccsc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
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
MGLL Q99685 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
EGFR P00533 1/20 0.40
NSD2 O96028 1/20 0.40
EPHX1 P07099 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL4236453 0.84 ALDH1A1 (0.50) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4243343 0.81 ALDH1A1 (0.48) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4391766 0.77 ATM (0.44) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL5576009 0.77 ALDH1A1 (0.52) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4240462 0.77 GPR119 (0.54) GPR119
SCHEMBL377889 0.77 ALDH1A1 (0.70) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL8266055 0.74 GPR119 (0.57) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL30121583 0.74 ALDH1A1 (0.66) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL3121165 0.73 ALDH1A1 (0.65) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL3639970 0.73 GPR119 (0.56) GPR119ALDH1A1NPC1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885ALDH1A1 3358/4885NPC1 542/4885

“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.