SCHEMBL3525838

SCHEMBL3525838

CC(C)(C)OC(=O)N1CCC(CC#N)(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.54
SCD5 Q86SK9 1/20 0.47
JAK2 O60674 15/20 0.43
JAK1 P23458 15/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL4150888 0.85 GPR183 (0.53) GPR183SCD5KEAP1NFE2L2TACR1
SCHEMBL3532577 0.84 GPR183 (0.52) GPR183SCD5KEAP1NFE2L2TACR1
SCHEMBL14902428 0.84 GPR183 (0.56) GPR183SCD5KEAP1NFE2L2
SCHEMBL3529341 0.84 SLC6A3 (0.43) JAK2JAK1
SCHEMBL27621361 0.84 SLC6A3 (0.40) GPR183
SCHEMBL5026906 0.83 JAK2 (0.45) JAK2JAK1TACR1
SCHEMBL3525836 0.82 JAK2 (0.47) JAK2JAK1TACR1
SCHEMBL28980546 0.81 GPR183 (0.57) GPR183SCD5KEAP1NFE2L2
SCHEMBL16553629 0.81 MEN1 (0.49) JAK2JAK1TACR1
SCHEMBL14272847 0.80 JAK2 (0.45) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 GPR183 38/4885SCD5 1230/4885JAK2 2862/4885

“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.