SCHEMBL1141644

SCHEMBL1141644

COc1cc(OC)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-c3ccc(C)c(C)c3)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.49
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.44
CDK12 Q9NYV4 1/20 0.44

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
SCHEMBL1141649 1.00 GFER (0.49) GFERHCRTR1HCRTR2POLBKMT2A
SCHEMBL1141282 0.90 CDK12 (0.44) GFERHCRTR1HCRTR2KMT2ACDK12
SCHEMBL1141279 0.90 CDK12 (0.44) GFERHCRTR1HCRTR2KMT2ACDK12
SCHEMBL14775918 0.88 HCRTR1 (0.44) GFERHCRTR1HCRTR2POLBKMT2A
SCHEMBL1141718 0.86 PDE2A (0.45) GFERHCRTR1HCRTR2POLBKMT2A
SCHEMBL1141717 0.86 PDE2A (0.45) GFERHCRTR1HCRTR2POLBKMT2A
SCHEMBL1141130 0.84 HCRTR2 (0.45) HCRTR1HCRTR2KMT2ACDK12
SCHEMBL1141128 0.84 HCRTR2 (0.45) HCRTR1HCRTR2KMT2ACDK12
SCHEMBL269121 0.83 POLB (0.48) GFERHCRTR1POLBKMT2ACDK12
SCHEMBL269120 0.83 POLB (0.48) GFERHCRTR1POLBKMT2ACDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
EP-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP claimed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US claimed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO claimed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
EP-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP disclosed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US disclosed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 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-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS HCRTR1, HCRTR2, NPY1R GFER 2594/4885HCRTR1 1/4885HCRTR2 2/4885

“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.