SCHEMBL3523618

SCHEMBL3523618

CC(C)(C)OC(=O)N1CCC(c2cc(F)cc(Cl)c2)(C(C#N)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.42
JAK1 P23458 11/20 0.42
GPR119 Q8TDV5 2/20 0.41
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 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
SCHEMBL3523407 0.89 JAK2 (0.42) JAK2JAK1GPR119
SCHEMBL3530140 0.86 GPR119 (0.43) JAK2JAK1GPR119TSHRALOX15
SCHEMBL13543115 0.85 JAK2 (0.46) JAK2JAK1GPR119TSHRALOX15
SCHEMBL16553939 0.85 MEN1 (0.46) JAK2JAK1TSHRALOX15ATM
SCHEMBL3529491 0.83 GPR119 (0.43) JAK2JAK1GPR119TSHRALOX15
SCHEMBL30479343 0.83 GPR119 (0.43) JAK2JAK1GPR119TSHRALOX15
SCHEMBL16565388 0.81 TSHR (0.53) JAK2JAK1GPR119TSHRALOX15
SCHEMBL3528504 0.80 NPC1 (0.47) JAK2JAK1TSHRALOX15ATM
SCHEMBL3526813 0.79 TSHR (0.44) JAK2JAK1GPR119TSHRALOX15
SCHEMBL3533009 0.79 JAK2 (0.48) JAK2JAK1GPR119

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 JAK2 2862/4885JAK1 2938/4885GPR119 120/4885

“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.