SCHEMBL4240888

SCHEMBL4240888

CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)nc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 1/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GPR119 Q8TDV5 7/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
DDB1 Q16531 2/20 0.50
CRBN Q96SW2 2/20 0.50
USP30 Q70CQ3 1/20 0.49
JAK1 P23458 1/20 0.48
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL24179617 0.88 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL25273779 0.87 ALDH1A1 (0.69) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16976307 0.87 ALDH1A1 (0.65) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL388631 0.85 PTPN2 (0.69) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29716436 0.84 ALDH1A1 (0.61) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31180977 0.84 ALDH1A1 (0.61) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2873727 0.84 ALDH1A1 (0.75) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1875809 0.83 ALDH1A1 (0.60) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23311652 0.83 ALDH1A1 (0.62) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23360144 0.83 ALDH1A1 (0.60) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024213125-A1 BRM SELECTIVE DEGRADATION AGENT AND USE THEREOF 南京再明医药有限公司 2024-10-17 WO disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO 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 (2 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 ALDH1A1 3358/4885NPC1 542/4885MAPT 3843/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 ALDH1A1 1436/4885NPC1 318/4885MAPT 4305/4885

“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.