SCHEMBL5459307

SCHEMBL5459307

C[Si](C)(C)OC1(C#N)CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 2/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL491578 1.00 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL4127530 1.00 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL1611506 0.98 ALDH1A1 (0.32) ALDH1A1
SCHEMBL842418 0.93
SCHEMBL8848675 0.89
SCHEMBL5612040 0.89
SCHEMBL5612049 0.89
SCHEMBL16099095 0.82
SCHEMBL2420244 0.80
SCHEMBL26410062 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-13 US disclosed
EP-2678317-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-01-01 EP disclosed
CN-103391923-A As P2X7Benzamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-11-13 CN disclosed
WO-2012114268-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
US-20050009109-A1 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-13 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 (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-20070134737-A1 Fluorophore compounds and their use in biological systems DHODH, DUT, DPYD ALDH1A1 371/4885PDE4A 2762/4885PDE7A 1287/4885
US-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX3, P2RX7, P2RX1 ALDH1A1 1255/4885PDE4A 1049/4885PDE7A 1189/4885

“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.