SCHEMBL4857591

SCHEMBL4857591

CC(C)(C)[Si](C)(C)OCc1cc(Cl)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE8A O60658 1/20 0.33
KCNH2 Q12809 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ACACB O00763 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
CYP1A2 P05177 1/20 0.31
USP14 P54578 1/20 0.31
CCR4 P51679 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
S1PR4 O95977 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6676004 0.86 DUT (0.33) MAPTALDH1A1L3MBTL1PDE8AKCNH2
SCHEMBL1881803 0.83 KDM4E (0.33) ALDH1A1IRAK4
SCHEMBL30041870 0.83 KDM4E (0.33) ALDH1A1IRAK4
SCHEMBL22689396 0.80 SYK (0.34) IRAK4
SCHEMBL2089511 0.77 S1PR4 (0.46) MAPTHTR2CSLC6A4HTR2BALDH1A1
SCHEMBL16061682 0.77 CA12 (0.34) IRAK4
SCHEMBL1877368 0.76 MBOAT4 (0.42) KDM4C
SCHEMBL29411261 0.75 RECQL (0.47) USP14CDK2
SCHEMBL1766223 0.75 RECQL (0.47) USP14CDK2
SCHEMBL25264608 0.75 KDM4C (0.44) MAPTALDH1A1KDM4C

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
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
US-7414036-B2 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2008-08-19 US disclosed
US-7414036-B2 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2008-08-19 US disclosed
US-20050101551-A1 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2005-05-12 US disclosed
WO-2005012323-A2 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS TRIGEN LIMITED (GB) 2005-02-10 WO disclosed
EP-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 EP disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 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-20050101551-A1 Compounds useful as A3 adenosine receptor agonists ADORA3, ADORA2A, ADORA2B MAPT 4871/4885HTR2C 65/4885SLC6A4 1905/4885

“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.