SCHEMBL7953308

SCHEMBL7953308

CC(C)(C)OC(=O)N1CC=C(c2cncc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
PDK4 Q16654 1/20 0.58
GRM5 P41594 8/20 0.53
GRM1 Q13255 8/20 0.53
CYP11B2 P19099 1/20 0.53
JAK1 P23458 1/20 0.50
NAMPT P43490 1/20 0.49
BTK Q06187 1/20 0.47
PIK3CD O00329 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CNR1 P21554 1/20 0.47
DGAT2 Q96PD7 1/20 0.46

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
SCHEMBL19297116 0.87 PDK4 (0.59) HTR6PDK4GRM5GRM1JAK1
SCHEMBL6847847 0.86 PDK4 (0.69) HTR6PDK4GRM5GRM1JAK1
SCHEMBL30269890 0.83 BTK (0.60) HTR6PDK4GRM5GRM1JAK1
SCHEMBL5359091 0.81 PDK4 (0.59) HTR6PDK4GRM5GRM1JAK1
SCHEMBL19297244 0.80 PDK4 (0.58) HTR6PDK4GRM5GRM1JAK1
SCHEMBL6275445 0.80 PDE10A (0.58) HTR6PDK4GRM5GRM1JAK1
SCHEMBL19284673 0.80 PDK4 (0.62) HTR6PDK4GRM5GRM1JAK1
SCHEMBL19297042 0.80 PDK4 (0.62) HTR6PDK4GRM5GRM1JAK1
SCHEMBL1806361 0.79 PDK4 (0.61) HTR6PDK4GRM5GRM1JAK1
SCHEMBL19297151 0.79 PDK4 (0.61) HTR6PDK4GRM5GRM1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
CN-1315830-A Method for treating anxiety disorders LILLY CO ELI (US) 2001-10-03 CN disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP 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-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 HTR6 2885/4885PDK4 1414/4885GRM5 4328/4885
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 HTR6 3074/4885PDK4 1397/4885GRM5 4303/4885

“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.