SCHEMBL15850872

SCHEMBL15850872

O=c1cnc2ccc(F)cc2n1CCC1OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
GRIN2B Q13224 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL15850932 0.90 PRPS1 (0.38) GRIN2BALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2798622 0.87 ALDH1A1 (0.43) GRIN2BALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19212760 0.78 GRIN2B (0.47) KCNH2GRIN2BALDH1A1KDM4EHSD17B10
SCHEMBL4136787 0.77 KCNH2 (0.42) KCNH2GRIN2BALDH1A1KDM4EHSD17B10
SCHEMBL15850934 0.76 ALDH1A1 (0.39) KCNH2GRIN2BALDH1A1HPGDKDM4E
SCHEMBL10285242 0.76 GRIN2B (0.57) GRIN2BALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14313795 0.76 CYP11B1 (0.48) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL29489040 0.76 CYP11B1 (0.48) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL4776915 0.75 KCNH2 (0.47) KCNH2
SCHEMBL3859045 0.75 ALDH1A1 (0.39) GRIN2BALDH1A1HPGDKDM4EHSD17B10

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-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 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-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE AR, RCC2, NR3C2 KCNH2 2218/4885GRIN2B 62/4885ALDH1A1 1227/4885

“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.