SCHEMBL470809

SCHEMBL470809

C1CC(COC2CC2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
HTR3A P46098 3/20 0.38
KCNH2 Q12809 2/20 0.38
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
SLC6A3 Q01959 3/20 0.35
GBA1 P04062 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR4 Q13639 1/20 0.33
KDM1A O60341 2/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 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
SCHEMBL797411 0.91 TDP1 (0.38) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL796522 0.90 SLC6A2 (0.37) TDP1SLC6A4SLC6A2HTR3AKCNH2
Hydrochloric Acid SCHEMBL17220300 0.89 TDP1 (0.41) TDP1SLC6A4SLC6A2HTR3AKCNH2
Hydrochloric Acid SCHEMBL17220374 0.88 TDP1 (0.39) TDP1SLC6A4SLC6A2HTR3AKCNH2
Hydrochloric Acid SCHEMBL7491956 0.87 CTSL (0.43) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL4104818 0.86 CTSL (0.41) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL19025161 0.86 CTSL (0.46) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL13747906 0.86 TDP1 (0.38) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL30015005 0.85 TDP1 (0.35) TDP1SLC6A4SLC6A2HTR3AKCNH2
SCHEMBL8193734 0.85 TDP1 (0.35) TDP1SLC6A4SLC6A2HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
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-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
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
WO-2012033144-A1 PYRAZOLOQUINOLINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 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 (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 TDP1 178/4885SLC6A4 2292/4885SLC6A2 2094/4885

“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.