SCHEMBL18997019

SCHEMBL18997019

Fc1cccc(OC2CCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 8/20 0.44
KCNH2 Q12809 3/20 0.44
PDK2 Q15119 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL23099877 0.96 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL7235082 0.92 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Formic Acid SCHEMBL28317621 0.90 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL15039647 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL254980 0.84 HRH1 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL16569940 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2298024 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL18186076 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL29981033 0.82 HRH1 (0.61) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3472570 0.82 HRH1 (0.61) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993477-B2 Substituted imidazo[1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2018-06-12 US disclosed
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS SUNDIA MEDITECH COMPANY, LTD. (CN) 2017-06-22 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 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 (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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A SLC6A2 411/4885SLC6A4 640/4885SLC6A3 122/4885
US-20170173018-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS PDE9A, PDE12, PDE5A SLC6A2 766/4885SLC6A4 1190/4885SLC6A3 549/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A SLC6A2 411/4885SLC6A4 640/4885SLC6A3 122/4885

“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.