SCHEMBL3528263

SCHEMBL3528263

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.52
SCD5 Q86SK9 1/20 0.47
MMP13 P45452 1/20 0.42
MAPT P10636 3/20 0.41
BMP1 P13497 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
EDNRA P25101 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL3526339 0.89 GPR183 (0.49) GPR183SCD5MMP13MAPTBMP1
SCHEMBL3526813 0.83 TSHR (0.44) MMP13TSHRALOX15ATMJAK2
SCHEMBL16565388 0.82 TSHR (0.53) SCD5TSHRALOX15ATMJAK2
SCHEMBL16553939 0.82 MEN1 (0.46) TSHRALOX15ATMJAK2JAK1
SCHEMBL14902428 0.82 GPR183 (0.56) GPR183SCD5MMP13MAPTBMP1
SCHEMBL3530140 0.82 GPR119 (0.43) TSHRALOX15ATMJAK2JAK1
SCHEMBL3526905 0.81 TSHR (0.46) TSHRALOX15ATMJAK2JAK1
SCHEMBL3528504 0.81 NPC1 (0.47) MAPTTSHRALOX15ATMJAK2
SCHEMBL30479343 0.81 GPR119 (0.43) TSHRALOX15ATMJAK2JAK1
SCHEMBL3529491 0.81 GPR119 (0.43) TSHRALOX15ATMJAK2JAK1

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 1230/4885MMP13 4232/4885

“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.