SCHEMBL5844388

SCHEMBL5844388

CN(C)c1ccc(N2CC(C(=O)O)CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA6 P23280 2/20 0.60
RECQL P46063 1/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL20676025 0.87 CA12 (0.74) CA12CA1CA2CA4CA7
SCHEMBL17967205 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL19793291 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL2636575 0.83 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL1776720 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL3365962 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL3367424 0.81 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL892508 0.81 CA12 (0.66) CA12CA1CA2CA4CA7
SCHEMBL20116495 0.81 CA12 (0.66) CA12CA1CA2CA4CA7
SCHEMBL2560831 0.81 CA12 (0.62) CA12CA1CA2CA4CA7

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
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R CA12 1561/4885CA1 1139/4885CA2 901/4885

“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.