SCHEMBL3764740

SCHEMBL3764740

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)C(=O)CC2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
HSD11B1 P28845 1/20 0.49
GPR119 Q8TDV5 4/20 0.48
STS P08842 1/20 0.48
OPRM1 P35372 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
PTPRB P23467 1/20 0.47
PTPN11 Q06124 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
YAP1 P46937 2/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL3765125 0.90 JAK2 (0.51) JAK2JAK1HSD11B1GPR119STS
SCHEMBL618193 0.84 JAK2 (0.59) JAK2JAK1HSD11B1GPR119STS
SCHEMBL13853353 0.82 OPRM1 (0.60) JAK2JAK1HSD11B1GPR119STS
SCHEMBL13930895 0.82 JAK2 (0.57) JAK2JAK1GPR119STSKDM4E
SCHEMBL3765126 0.81 JAK2 (0.50) JAK2JAK1HSD11B1GPR119STS
SCHEMBL4904281 0.81 YAP1 (0.50) JAK2JAK1GPR119STSKDM4E
SCHEMBL3762934 0.80 GPR119 (0.47) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL3012474 0.80 JAK2 (0.62) JAK2JAK1HSD11B1GPR119STS
SCHEMBL5244191 0.80 JAK2 (0.55) JAK2JAK1HSD11B1GPR119STS
SCHEMBL1624526 0.79 HSD11B1 (0.66) JAK2JAK1HSD11B1GPR119STS

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 JAK2 2034/4885JAK1 3701/4885HSD11B1 999/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 JAK2 2034/4885JAK1 3701/4885HSD11B1 999/4885

“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.