SCHEMBL4240027

SCHEMBL4240027

CC(C)(C)OC(=O)N1CCC(C(O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MMP13 P45452 1/20 0.52
GPR119 Q8TDV5 6/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EED O75530 1/20 0.49
RBBP4 Q09028 1/20 0.49
SUZ12 Q15022 1/20 0.49
EZH2 Q15910 1/20 0.49
AEBP2 Q6ZN18 1/20 0.49
STS P08842 1/20 0.48
DPP4 P27487 1/20 0.47
TGFBR1 P36897 1/20 0.46
P2RY14 Q15391 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 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
SCHEMBL4241240 1.00 MAPT (0.52) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL23211926 0.88 MMP13 (0.54) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL4393991 0.88 MMP13 (0.55) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL4236846 0.86 GPR119 (0.57) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL4240647 0.85 ALDH1A1 (0.52) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL4242463 0.85 GPR119 (0.53) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL4239889 0.85 ALDH1A1 (0.52) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL2520399 0.85 ALDH1A1 (0.55) MAPTGPR119NPC1ALDH1A1MAPK1
SCHEMBL4244525 0.85 ALDH1A1 (0.52) MAPTMMP13GPR119NPC1ALDH1A1
SCHEMBL1405370 0.85 GPR119 (0.59) MAPTMMP13GPR119NPC1ALDH1A1

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 6 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-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 (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 MAPT 3843/4885MMP13 1839/4885GPR119 207/4885

“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.