SCHEMBL5509641

SCHEMBL5509641

C=CCC1CN(C(=O)OC(C)(C)C)CC1Oc1cnc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
PDE10A Q9Y233 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 2/20 0.36
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
PIK3CD O00329 2/20 0.35
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL5509582 0.83 USP30 (0.41) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL5507973 0.82 USP30 (0.40) PDE10AUSP30NAMPTCKS1BSKP1
SCHEMBL5507958 0.80 PDE10A (0.38) KDM4EALDH1A1PDE10AMEN1KMT2A
SCHEMBL5509725 0.78 USP30 (0.44) KDM4EALDH1A1PDE10AUSP30SMN1; SMN2
SCHEMBL5518832 0.77 USP30 (0.41) PDE10AUSP30CKS1BSKP1SKP2
SCHEMBL25362188 0.75 KLK7 (0.45) KDM4EGAATHRBNAMPTSMN1; SMN2
SCHEMBL4545723 0.75 PIK3CD (0.52) PDE10AUSP30PIK3CDHPGDS
SCHEMBL16392572 0.75 PIK3CD (0.52) PDE10AUSP30PIK3CDHPGDS
SCHEMBL19284977 0.71 NR1H2 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19284976 0.71 NR1H2 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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
EP-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 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-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A KDM4E 500/4885ALDH1A1 896/4885GLA 947/4885

“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.