SCHEMBL3520071

SCHEMBL3520071

COc1cccc(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.51
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PDE2A O00408 1/20 0.36
GRIN2B Q13224 4/20 0.35
DRD4 P21917 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRB P28702 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR2 P50052 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL3519158 0.92 PROKR2 (0.48) PROKR2HCRTR1HCRTR2DRD4SMN1; SMN2
SCHEMBL3522240 0.92 PROKR2 (0.53) PROKR2HCRTR1HCRTR2GRIN2BDRD4
SCHEMBL3519276 0.92 PROKR2 (0.51) PROKR2HCRTR1HCRTR2GRIN2BDRD4
SCHEMBL3518649 0.91 PROKR2 (0.50) PROKR2HCRTR1HCRTR2GRIN2BDRD4
SCHEMBL3519981 0.90 PROKR2 (0.52) PROKR2HCRTR1HCRTR2GRIN2BDRD4
SCHEMBL3516604 0.89 PROKR2 (0.48) PROKR2HCRTR1HCRTR2DRD4SMN1; SMN2
SCHEMBL3520724 0.89 PROKR2 (0.64) PROKR2HCRTR1HCRTR2GRIN2BDRD4
SCHEMBL3518777 0.89 PROKR2 (0.48) PROKR2GRIN2BSMN1; SMN2RXRBAGTR2
SCHEMBL3516409 0.89 PROKR2 (0.55) PROKR2GRIN2BDRD4SMN1; SMN2SIGMAR1
SCHEMBL3521953 0.88 PROKR2 (0.48) PROKR2HCRTR1HCRTR2GRIN2BDRD4

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 13 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
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 1/4885HCRTR1 27/4885HCRTR2 11/4885

“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.