SCHEMBL3530140

SCHEMBL3530140

CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(Cl)c2)(C(C#N)C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 9/20 0.42
JAK1 P23458 9/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL30479343 0.93 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL3529491 0.93 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL16553939 0.89 MEN1 (0.46) JAK2JAK1TSHRALOX15ATM
SCHEMBL3523465 0.89 JAK2 (0.42) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL13543115 0.87 JAK2 (0.46) GPR119JAK2JAK1TSHRALOX15
SCHEMBL3523618 0.86 JAK2 (0.42) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL30479378 0.84 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL21680272 0.84 GPR119 (0.43) GPR119JAK2JAK1CYP3A4CYP3A5
SCHEMBL3528504 0.84 NPC1 (0.47) JAK2JAK1TSHRALOX15ATM
SCHEMBL3526813 0.83 TSHR (0.44) GPR119JAK2JAK1TSHRALOX15

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
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

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

“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.