SCHEMBL15217059

SCHEMBL15217059

COCCCCN(C)[C@@H]1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 7/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
REN P00797 4/20 0.33
CYP2D6 P10635 1/20 0.32
LSS P48449 2/20 0.32

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
SCHEMBL15217061 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL24680877 0.88 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL12120419 0.88 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL20521564 0.88 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3NOS3NOS1
Bromide SCHEMBL1306727 0.88 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL1088444 0.84 SLC6A2 (0.43) SLC6A2SLC6A4NOS3NOS1NOS2
SCHEMBL15108737 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3RENCYP2D6
SCHEMBL23589136 0.80 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL12120357 0.79 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL19292100 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NOS3NOS1

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-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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 (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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A SLC6A2 2094/4885SLC6A4 2292/4885SLC6A3 1617/4885

“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.