SCHEMBL470997

SCHEMBL470997

CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
HDAC6 Q9UBN7 2/20 0.49
ABHD6 Q9BV23 1/20 0.49
RORC P51449 2/20 0.49
GPR119 Q8TDV5 1/20 0.49
ROCK2 O75116 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
USP30 Q70CQ3 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
DTYMK P23919 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL32672311 1.00 P2RX7 (0.56) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL16463292 1.00 P2RX7 (0.56) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL4712983 0.86 NR1H2 (0.58) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL470996 0.85 CHRNA7 (0.52) GPR119KDM4EPKMCHRNB2CHRNB4
SCHEMBL470892 0.84 P2RX7 (0.47) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL1580110 0.84 ABHD6 (0.55) HDAC6ABHD6RORCGPR119ROCK2
SCHEMBL470901 0.84 P2RX7 (0.61) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL1580000 0.84 P2RX7 (0.61) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL28502805 0.83 ABHD6 (0.54) P2RX7HDAC6ABHD6RORCGPR119
SCHEMBL28502807 0.83 ABHD6 (0.54) P2RX7HDAC6ABHD6RORCGPR119

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 3 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US 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 P2RX7 103/4885HDAC6 58/4885ABHD6 2722/4885

“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.