SCHEMBL3518528

SCHEMBL3518528

COc1ccccc1CN1CCO[C@@H](C(=O)N(Cc2ccc3c(c2)OCCC3)CC(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.60
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
DRD4 P21917 1/20 0.37
MCHR1 Q99705 1/20 0.37
ACHE P22303 1/20 0.37
TACR1 P25103 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3520231 1.00 PROKR2 (0.60) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
SCHEMBL3516108 1.00 PROKR2 (0.60) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
Hydrochloric Acid SCHEMBL3519833 0.99 PROKR2 (0.59) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
SCHEMBL12992892 0.98 PROKR2 (0.60) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
SCHEMBL3518075 0.98 PROKR2 (0.60) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
Hydrochloric Acid SCHEMBL3516402 0.98 PROKR2 (0.59) PROKR2ALDH1A1KDM4ECTNNB1WNT3A
SCHEMBL3516821 0.94 PROKR2 (0.58) PROKR2ALDH1A1KDM4EDRD4MCHR1
Hydrochloric Acid SCHEMBL3519408 0.93 PROKR2 (0.57) PROKR2ALDH1A1KDM4EDRD4MCHR1
SCHEMBL3519798 0.93 PROKR2 (0.58) PROKR2ALDH1A1KDM4EDRD4MCHR1
Hydrochloric Acid SCHEMBL3516671 0.92 PROKR2 (0.57) PROKR2ALDH1A1KDM4EDRD4MCHR1

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-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
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP 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 1/4885ALDH1A1 4629/4885KDM4E 4734/4885

“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.