SCHEMBL3517671

SCHEMBL3517671

COc1nccnc1CN1CCO[C@@H](C(=O)N(Cc2ccc3c(c2)OCCCO3)CC(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.59
KDM4E B2RXH2 4/20 0.37
GLA P06280 1/20 0.35
KMT2A Q03164 3/20 0.34
MCHR1 Q99705 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3516681 0.90 PROKR2 (0.58) PROKR2KDM4EGLAKMT2AMCHR1
SCHEMBL3520517 0.87 PROKR2 (0.55) PROKR2KDM4EGLAKMT2AALDH1A1
SCHEMBL3518160 0.87 PROKR2 (0.62) PROKR2KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL3521395 0.86 PROKR2 (0.57) PROKR2KDM4EGLAKMT2AMCHR1
SCHEMBL3518998 0.86 PROKR2 (0.61) PROKR2KDM4EGLAKMT2A
SCHEMBL3518992 0.85 PROKR2 (0.61) PROKR2KDM4EGLAMCHR1SMN1; SMN2
SCHEMBL3523263 0.84 PROKR2 (0.59) PROKR2KDM4EGLAKMT2AALDH1A1
SCHEMBL3518512 0.84 PROKR2 (0.65) PROKR2KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL3519144 0.84 PROKR2 (0.61) PROKR2KDM4EGLAKMT2AMCHR1
SCHEMBL3519576 0.84 PROKR2 (0.61) PROKR2KDM4EGLAKMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP claimed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US claimed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US claimed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP claimed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO claimed
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 PROKR2 1/4885KDM4E 4734/4885GLA 3440/4885

“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.