SCHEMBL4240126

SCHEMBL4240126

COc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
STS P08842 2/20 0.67
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.63
GPR119 Q8TDV5 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
HSD11B1 P28845 1/20 0.62
MGLL Q99685 1/20 0.62
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRM2 P08172 1/20 0.54
GLA P06280 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL14655073 0.87 POLB (0.66) POLBSTSALDH1A1LMNASMN1; SMN2
SCHEMBL18824369 0.87 KMT2A (0.58) POLBSTSALDH1A1GPR119KMT2A
SCHEMBL14113587 0.86 KMT2A (0.71) STSALDH1A1LMNAGPR119HSD11B1
SCHEMBL9947987 0.86 STS (0.54) POLBSTSALDH1A1LMNAGPR119
SCHEMBL4236625 0.86 HSD11B1 (0.65) POLBSTSALDH1A1LMNAGPR119
SCHEMBL14655033 0.86 MEN1 (0.63) POLBSTSALDH1A1GPR119HSD11B1
SCHEMBL24833605 0.85 MGLL (0.56) POLBSTSALDH1A1GPR119MGLL
SCHEMBL473345 0.85 STS (0.67) STSHSD11B1MGLLKMT2AMEN1
SCHEMBL4235957 0.85 MGLL (0.56) POLBSTSGPR119HSD11B1MGLL
SCHEMBL228921 0.85 HSD11B1 (0.63) POLBALDH1A1LMNASMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 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 (3 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 POLB 3070/4885STS 3432/4885ALDH1A1 2333/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 POLB 3133/4885STS 4769/4885ALDH1A1 3358/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 POLB 3070/4885STS 3432/4885ALDH1A1 2333/4885

“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.