SCHEMBL17123796

SCHEMBL17123796

CN1CC(Oc2cccc(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 3/20 0.47
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SCN9A Q15858 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
SCHEMBL17339944 0.89 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3HRH3HTR2C
SCHEMBL10260953 0.89 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3HRH3HTR2C
SCHEMBL10077967 0.83 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3HRH3KMT2A
SCHEMBL22839032 0.83 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL17128677 0.83 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3HRH3MGLL
SCHEMBL20147889 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3KMT2A
SCHEMBL20068832 0.82 HRH3 (0.50) SLC6A4SLC6A2SLC6A3HRH3MGLL
SCHEMBL20176333 0.82 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL13184995 0.81 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MGLLSCN9A
SCHEMBL7235082 0.80 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3MGLLABHD6

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-9643970-B2 Substituted imidazo [1,5-a]pyrazines as PDE9 inhibitors H. LUNDBECK A/S (DK) 2017-05-09 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150274736-A1 PDE9i with imidazo pyrazinone backbone SUNDIA MEDITECH COMPANY, LTD. (CN) 2015-10-01 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 (1 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 SLC6A4 1094/4885SLC6A2 903/4885SLC6A3 504/4885

“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.