SCHEMBL4245076

SCHEMBL4245076

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
GPR119 Q8TDV5 6/20 0.48
STS P08842 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HSD11B1 P28845 1/20 0.45
USP30 Q70CQ3 2/20 0.45
PTPRB P23467 1/20 0.44
PTPN11 Q06124 1/20 0.44
NR1D1 P20393 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
SCHEMBL3012474 0.82 JAK2 (0.62) JAK2JAK1GPR119STSMEN1
SCHEMBL803527 0.79 JAK2 (0.74) JAK2JAK1GPR119STSMEN1
SCHEMBL3604523 0.78 YTHDC1 (0.36) MEN1KMT2AKDM4E
SCHEMBL29243776 0.78 JAK2 (0.66) JAK2JAK1GPR119STSMEN1
SCHEMBL29243644 0.78 JAK2 (0.66) JAK2JAK1GPR119STSMEN1
SCHEMBL4309350 0.78 MEN1 (0.67) JAK2JAK1GPR119STSMEN1
SCHEMBL16097143 0.78 KMT2A (0.62) JAK2JAK1GPR119STSMEN1
SCHEMBL618193 0.77 JAK2 (0.59) JAK2JAK1GPR119STSMEN1
SCHEMBL4239118 0.77 GPR119 (0.56) JAK2JAK1GPR119STSMEN1
SCHEMBL389660 0.77 GPR119 (0.43) JAK2JAK1GPR119STSGAA

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 5 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
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 JAK2 2034/4885JAK1 3701/4885GPR119 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.