SCHEMBL14873937

SCHEMBL14873937

Fc1cccc(OC2CN(Cl)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.38
▸ KCNH2 Q12809 4/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ CHRM5 P08912 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL22105815 0.77 SLC6A2 (0.41) KCNH2SLC6A2SLC6A4MAPT
SCHEMBL17123794 0.76 SLC6A2 (0.49) KCNH2SLC6A2SLC6A4ALOX5
Hydrochloric Acid SCHEMBL14861970 0.75 SLC6A2 (0.47) KCNH2SLC6A2SLC6A4ALOX5
SCHEMBL12093082 0.73 SLC6A4 (0.44) KCNH2SLC6A2SLC6A4
SCHEMBL22547322 0.73 MCHR1 (0.44) KCNH2SLC6A2SLC6A4ALOX5MAPT
SCHEMBL21525510 0.69 ACSL1 (0.44) KCNH2SLC6A2SLC6A4
SCHEMBL22547907 0.67 KCNH2 (0.36) KCNH2SLC6A2SLC6A4ALOX5SCN5A
SCHEMBL14873929 0.67 SLC6A2 (0.47) SLC6A2SLC6A4GRIN1GRIN2B
SCHEMBL14873951 0.65 HRH1 (0.48) DRD4SLC6A2SLC6A4
SCHEMBL17548201 0.65 GRM4 (0.42) RXRAGRIN1GRIN2BMAPT

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
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS SUNDIA MEDITECH COMPANY, LTD. (CN) 2017-06-22 — — US disclosed
US-9643970-B2 Substituted imidazo [1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2017-05-09 — — US disclosed
EP-3121178-A1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE H. Lundbeck A/S (DK) 2017-01-25 — — EP disclosed
EP-2906562-B1 PDE9I WITH IMIDAZO PYRAZINONE BACKBONE LUNDBECK & CO AS H (DK) 2016-10-05 — — EP disclosed
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone SUNDIA MEDITECH COMPANY, LTD. (CN) 2015-10-01 — — US disclosed
WO-2013053690-A1 PDE9I WITH IMIDAZO PYRAZINONE BACKBONE H. LUNDBECK A/S (DK) 2013-04-18 — — 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 (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-20150274736-A1 PDE9i with imidazo pyrazinone backbone PDE9A, PDE5A, PDE12 DRD4 1669/4885KCNH2 2112/4885SLC6A2 903/4885
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS PDE9A, PDE12, PDE5A DRD4 1550/4885KCNH2 1820/4885SLC6A2 766/4885

“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.

Send feedback