SCHEMBL3519554

SCHEMBL3519554

CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2cccn2-c2ccc(Cl)cn2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.51
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SSTR3 P32745 1/20 0.39
GRIN2B Q13224 3/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MCHR1 Q99705 3/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
OGA O60502 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3519032 0.89 PROKR2 (0.48) PROKR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3519990 0.84 PROKR2 (0.48) PROKR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3517248 0.84 PROKR2 (0.64) PROKR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3518207 0.84 PROKR2 (0.52) PROKR2ALDH1A1KMT2AMEN1GRN
SCHEMBL3518017 0.82 PROKR2 (0.61) PROKR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3518033 0.81 PROKR2 (0.59) PROKR2ALDH1A1KMT2AGRNSORT1
SCHEMBL3520200 0.81 PROKR2 (0.59) PROKR2ALDH1A1KMT2AGRNSORT1
SCHEMBL3518041 0.81 PROKR2 (0.59) PROKR2ALDH1A1KMT2AGRNSORT1
SCHEMBL3520718 0.81 PROKR2 (0.62) PROKR2ALDH1A1KMT2AMEN1GRN
SCHEMBL3518249 0.80 PROKR2 (0.61) PROKR2ALDH1A1KMT2AMEN1GRIN2B

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 1/4885ALDH1A1 4629/4885KMT2A 2847/4885

“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.