SCHEMBL470996

SCHEMBL470996

CN1CCN(C(=O)OC(C)(C)C)CC1c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.52
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA2 Q15822 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
PSIP1 O75475 1/20 0.52
TRPA1 O75762 1/20 0.52
HTR3B O95264 1/20 0.52
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
CYP2A6 P11509 1/20 0.52
PTGS1 P23219 1/20 0.52
CHRNA5 P30532 1/20 0.52

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
SCHEMBL470894 0.86 GPR119 (0.50) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL16463292 0.85 P2RX7 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL470997 0.85 P2RX7 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL32672311 0.85 P2RX7 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL38663440 0.84 GPR119 (0.51) ALDH1A1MAPTTDP1GPR119KDM4E
SCHEMBL38662977 0.82 GPR119 (0.47) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL30417389 0.81 GPR119 (0.60) MAPTLMNAGPR119
SCHEMBL14497248 0.81 GPR119 (0.60) MAPTLMNAGPR119
SCHEMBL20757936 0.80 GPR119 (0.55) ALDH1A1MAPTGPR119KDM4EMEN1
SCHEMBL30098458 0.80 GPR119 (0.55) ALDH1A1MAPTGPR119KDM4EMEN1

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 CHRNA7 2499/4885CHRNB2 3579/4885CHRNA4 2911/4885

“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.