SCHEMBL6626403

SCHEMBL6626403

CN1C(=O)OCC1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
PDE4B Q07343 2/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL16181383 0.98 ALDH1A1 (0.32) CNR1PDE4BALDH1A1
SCHEMBL16181377 0.90 PIK3CD (0.32)
SCHEMBL16181419 0.83 RIPK1 (0.33)
SCHEMBL6903033 0.81 PLG (0.36) CNR1
SCHEMBL10308826 0.77 IDH1 (0.34) CNR1PDE4BPDE4DALDH1A1
SCHEMBL10308827 0.74 PIK3CD (0.34)
SCHEMBL10308930 0.69 GRM5 (0.35) ALDH1A1
SCHEMBL14114609 0.69 GRM5 (0.35) ALDH1A1
SCHEMBL12266202 0.69
SCHEMBL22212594 0.67 GAA (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
EP-1032561-B1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2004-02-11 EP disclosed
CN-1122022-C Substituted oximes as neurokinin antagonists SCHERING CORP (US) 2003-09-24 CN disclosed
CN-1279670-A Substituted oximes as neurokinin antagonists SCHERING CORP (US) 2001-01-10 CN disclosed
EP-1032561-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 2000-09-06 EP disclosed
US-6063926-A HAVING GREATER BIOACTIVITY SCHERING CORPORATION (US) 2000-05-16 US disclosed
WO-1999026924-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-06-03 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 CNR1 2305/4885PDE4B 2944/4885PDE4D 3692/4885

“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.