SCHEMBL8208327

SCHEMBL8208327

Nc1ccc(NC2Cc3ccccc3C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HCAR3 P49019 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL29581144 0.80 HCAR3 (0.56) HCAR3
SCHEMBL2792596 0.80 HCAR3 (0.56) HCAR3
SCHEMBL29771706 0.80 RAB9A (0.42) HRH4
SCHEMBL22057922 0.80 RAB9A (0.42) HRH4
SCHEMBL23500917 0.79 ENPP2 (0.48) GBA1CA1CA2
SCHEMBL30267549 0.77 HCAR3 (0.58) HCAR3
SCHEMBL2792092 0.77 HCAR3 (0.58) HCAR3
SCHEMBL22057258 0.76 HCAR3 (0.69) HCAR3
SCHEMBL4223820 0.76 HCAR3 (0.40) HRH4HCAR3
SCHEMBL27308827 0.76 CCR6 (0.52) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 US disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 US disclosed
US-9573945-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2017-02-21 US disclosed
US-20150166534-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2015-06-18 US disclosed
US-8906912-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2014-12-09 US disclosed
US-20140051701-A1 METHODS OF TREATING A DISEASE OR CONDITION OF THE CENTRAL NERVOUS SYSTEM BIONOMICS LIMITED (AU) 2014-02-20 US disclosed
US-20140045839-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2014-02-13 US disclosed
US-8551990-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2013-10-08 US disclosed
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 US disclosed
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 US disclosed
EP-2540722-A1 Novel anxiolytic compounds Bionomics Limited (AU) 2013-01-02 EP disclosed
EP-2074123-B1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LTD (AU) 2012-12-05 EP disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 US disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 US disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 US disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 US disclosed
WO-2008046135-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2008-04-24 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 (9 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-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 637/4885HRH4 451/4885CA1 987/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-20140051701-A1 METHODS OF TREATING A DISEASE OR CONDITION OF THE CENTRAL NERVOUS SYSTEM GAP43, PMP22, BDNF GBA1 62/4885HRH4 1625/4885CA1 506/4885
US-20140045839-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-20150166534-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 GBA1 618/4885HRH4 442/4885CA1 885/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 GBA1 472/4885HRH4 733/4885CA1 675/4885

“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.