SCHEMBL3521083

SCHEMBL3521083

CCOc1cccc(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 2/20 0.46
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD4 P21917 3/20 0.39
CHKA P35790 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
GRIN2B Q13224 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2B P41595 1/20 0.37
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3520404 0.93 PROKR2 (0.49) PROKR2HRH3SMN1; SMN2DRD4CHKA
SCHEMBL3518395 0.89 PROKR2 (0.48) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL3524385 0.89 PROKR2 (0.51) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL14837353 0.88 PROKR2 (0.49) PROKR2HRH3DRD4GRIN2BHTR1A
SCHEMBL3521077 0.87 PROKR2 (0.47) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL3522217 0.87 PROKR2 (0.51) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL3522107 0.87 PROKR2 (0.47) PROKR2SMN1; SMN2DRD4GRIN2BHTR1A
SCHEMBL3520966 0.85 PROKR2 (0.54) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL3518649 0.85 PROKR2 (0.50) PROKR2SMN1; SMN2DRD4CHKAGRIN2B
SCHEMBL3516604 0.85 PROKR2 (0.48) PROKR2SMN1; SMN2DRD4CHKAALDH1A1

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 10 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 PROKR2 1/4885HRH3 247/4885SMN1; SMN2 889/4885

“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.