SCHEMBL327116

SCHEMBL327116

CCCCCn1ccc2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
P2RX7 Q99572 1/20 0.54
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
DAO P14920 1/20 0.49
TLR8 Q9NR97 4/20 0.46
GLO1 Q04760 2/20 0.45
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CFTR P13569 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL5194675 0.89 P2RX7 (0.52) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL7771626 0.88 MTNR1A (0.60) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL28057970 0.87 MTNR1A (0.48) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL14578714 0.84 MTNR1A (0.56) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL9039466 0.83 MTNR1A (0.55) MTNR1AP2RX7DAOCDK4CCND1
SCHEMBL30462513 0.82 MTNR1A (0.57) MTNR1AP2RX7DAOCDK4CCND1
SCHEMBL8240735 0.81 MTNR1A (0.53) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL2543931 0.81 MTNR1A (0.55) MTNR1AP2RX7DAOKMT2APARP1
SCHEMBL28057969 0.80 MTNR1A (0.43) MTNR1AP2RX7CNR1CNR2DAO
SCHEMBL1567707 0.79 HTT (0.51) CNR1CNR2TLR8CFTRHTT

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4574167-B2 2010-11-04 JP claimed
US-7501505-B2 Activators for oligonucleotide synthesis AVECIA BIOTECHNOLOGY, INC. (US) 2009-03-10 US claimed
CN-100430411-C Activators for oligonucleotide synthesis AVECIA LTD (US) 2008-11-05 CN claimed
US-20060041114-A1 Activators for oligonucleotide synthesis NITTO DENKO AVECIA, INC. 2006-02-23 US claimed
EP-1404696-B1 ACTIVATORS FOR OLIGONUCLEOTIDE SYNTHESIS AVECIA BIOTECHNOLOGY INC (US) 2006-02-08 EP claimed
CN-1549820-A Activators for oligonucleotide synthesis ƽ 2004-11-24 CN claimed
EP-1404696-A1 ACTIVATORS FOR OLIGONUCLEOTIDE SYNTHESIS Avecia Biotechnology, Inc. (US) 2004-04-07 EP claimed
WO-2003004512-A1 ACTIVATORS FOR OLIGONUCLEOTIDE SYNTHESIS AVECIA BIOTECHNOLOGY INC. (US) 2003-01-16 WO claimed
EP-1501851-B1 PROCESS FOR PREPARING OLIGONUCLEOTIDES NITTO DENKO AVECIA INC (US) 2013-02-13 EP disclosed
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
US-8093397-B2 Activators for oligonucleotide synthesis AVECIA BIOTECHNOLOGY, INC. (US) 2012-01-10 US disclosed
EP-1888592-B1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-04-06 EP disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
EP-1575975-B1 PROCESS FOR THE PREPARATION OF OLIGONUCLEOTIDES AVECIA BIOTECHNOLOGY INC (US) 2010-10-27 EP disclosed
CN-1549820-A Activators for oligonucleotide synthesis ƽ 2004-11-24 CN disclosed
WO-2004055036-A1 PROCESS FOR THE PREPARATION OF OLIGONUCLEOTIDES AVECIA LIMITED (GB) 2004-07-01 WO disclosed
WO-2004035599-A1 PHOSPHITYLATION PROCESS AVECIA BIOTECHNOLOGY INC. (US) 2004-04-29 WO disclosed
EP-1404696-A1 ACTIVATORS FOR OLIGONUCLEOTIDE SYNTHESIS Avecia Biotechnology, Inc. (US) 2004-04-07 EP disclosed
WO-2003091267-A1 PROCESS FOR PREPARING OLIGONUCLEOTIDES AVECIA LIMITED (GB) 2003-11-06 WO disclosed
WO-2003004512-A1 ACTIVATORS FOR OLIGONUCLEOTIDE SYNTHESIS AVECIA BIOTECHNOLOGY INC. (US) 2003-01-16 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 (3 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-20060041114-A1 Activators for oligonucleotide synthesis MED12, RBM12, RPS12 MTNR1A 290/4885P2RX7 552/4885CNR1 386/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B MTNR1A 587/4885P2RX7 357/4885CNR1 543/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B MTNR1A 587/4885P2RX7 357/4885CNR1 543/4885

“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.