SCHEMBL5529389

SCHEMBL5529389

CCOC(=O)CC1CCc2c1[nH]c1ccncc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.38
S1PR1 P21453 8/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
AURKA O14965 1/20 0.35
MAPK10 P53779 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
SCHEMBL5520082 0.83 S1PR1 (0.48) S1PR1
SCHEMBL25147645 0.82 SIRT1 (0.56) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL1918133 0.81 KMT2A (0.55) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL32666145 0.81 KMT2A (0.55) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL4105569 0.80 KMT2A (0.52) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL1918737 0.79 KMT2A (0.70) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL14584258 0.79 CYP11B1 (0.41) KMT2ACYP11B1CYP11B2MAPTMEN1
SCHEMBL14584261 0.78 CYP11B1 (0.40) KMT2ACYP11B1CYP11B2MAPTMEN1
SCHEMBL2565349 0.78 KMT2A (0.52) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL12923709 0.78 KMT2A (0.49) KMT2AMAPTMEN1L3MBTL1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027171-A1 Cycloalkanepyrrolopyridines as dp receptor antagonists MERCK FROSST CANADA LTD. (CA) 2007-02-01 US disclosed
US-20070027171-A1 Cycloalkanepyrrolopyridines as dp receptor antagonists MERCK FROSST CANADA LTD. (CA) 2007-02-01 US disclosed
US-20070027171-A1 Cycloalkanepyrrolopyridines as dp receptor antagonists MERCK FROSST CANADA LTD. (CA) 2007-02-01 US disclosed
EP-1638967-A2 CYCLOALKANEPYRROLOPYRIDINES AS DP RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2006-03-29 EP disclosed
WO-2004111047-A2 CYCLOALKANEPYRROLOPYRIDINES AS DP RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-12-23 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-20070027171-A1 Cycloalkanepyrrolopyridines as dp receptor antagonists PTGIR, PTGDR, PTGDR2 KMT2A 4654/4885CYP11B1 1897/4885CYP11B2 1145/4885

“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.