SCHEMBL15217042

SCHEMBL15217042

CO[C@@H]1CCCC[C@@H]1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.38
HTR6 P50406 1/20 0.37
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
ADRB1 P08588 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
SCHEMBL15217035 1.00 SLC18A3 (0.38) SLC18A3HTR6TDP1ALDH1A1KDM4E
SCHEMBL17376179 0.96 SLC18A3 (0.41) SLC18A3HTR6HPGDKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL19253935 0.94 SLC18A3 (0.40) SLC18A3HTR6HPGDKMT2ASMN1; SMN2
SCHEMBL26619641 0.84 SLC18A3 (0.41) SLC18A3TDP1ALDH1A1KDM4EKMT2A
SCHEMBL15108630 0.80 KCNA5 (0.35) SLC18A3HTR6TDP1
SCHEMBL26620875 0.79 SLC18A3 (0.45) SLC18A3TDP1ALDH1A1KMT2A
SCHEMBL17706210 0.78 SLC18A3 (0.39) SLC18A3TDP1ALDH1A1KDM4E
SCHEMBL2618403 0.78 SLC18A3 (0.41) SLC18A3TDP1KMT2A
SCHEMBL14826553 0.77 HTR6 (0.37) SLC18A3HTR6HTR2C
SCHEMBL25540048 0.75 SLC18A3 (0.41) SLC18A3TDP1

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 SLC18A3 414/4885HTR6 4073/4885TDP1 178/4885

“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.