SCHEMBL470901

SCHEMBL470901

CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.61
GPR119 Q8TDV5 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ABHD6 Q9BV23 1/20 0.48
RORC P51449 2/20 0.47
ROCK2 O75116 1/20 0.47
DTYMK P23919 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
USP30 Q70CQ3 1/20 0.45
RIPK1 Q13546 1/20 0.44
TACR1 P25103 1/20 0.44
CKS1B P61024 1/20 0.44

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
SCHEMBL1580000 1.00 P2RX7 (0.61) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL28161198 0.89 P2RX7 (0.50) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL12278525 0.88 P2RX7 (0.48) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL26111468 0.88 P2RX7 (0.48) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL470892 0.87 P2RX7 (0.47) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL28467455 0.86 P2RX7 (0.47) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL470894 0.86 GPR119 (0.50) P2RX7GPR119HDAC6DTYMKKDM4E
SCHEMBL4712983 0.84 NR1H2 (0.58) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL470997 0.84 P2RX7 (0.56) P2RX7GPR119HDAC6ABHD6RORC
SCHEMBL16463292 0.84 P2RX7 (0.56) P2RX7GPR119HDAC6ABHD6RORC

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 6 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
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
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 103/4885GPR119 513/4885HDAC6 58/4885

“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.