SCHEMBL1723643

SCHEMBL1723643

O=C(O)[C@H]1CCC[C@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
BCHE P06276 1/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL1723644 1.00 RAB9A (0.48) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL1723646 1.00 RAB9A (0.48) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL6236004 0.97 RAB9A (0.51) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL2842365 0.88 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2838269 0.88 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24335872 0.88 PSEN1 (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4083000 0.88 TACR1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2581220 0.86 TACR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24335871 0.85 CPB1 (0.49) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL1029043 0.84 TACR1 (0.47) RAB9APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A RAB9A 32/4885PSEN1 1747/4885PSEN2 2404/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A RAB9A 34/4885PSEN1 2122/4885PSEN2 2547/4885

“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.