SCHEMBL3516864

SCHEMBL3516864

COc1ccccc1CN1CCO[C@@H](C(=O)N(Cc2ccc3c(c2)OCCO3)CC(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.60
MCHR1 Q99705 2/20 0.44
ALDH1A1 P00352 4/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD4 P21917 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL3516542 1.00 PROKR2 (0.60) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL12993123 0.98 PROKR2 (0.62) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3518689 0.98 PROKR2 (0.64) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3516884 0.98 PROKR2 (0.62) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3518632 0.98 PROKR2 (0.64) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3521313 0.97 PROKR2 (0.61) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3516850 0.97 PROKR2 (0.61) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3517924 0.95 PROKR2 (0.56) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL3518179 0.95 PROKR2 (0.56) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL13038926 0.95 PROKR2 (0.56) PROKR2MCHR1ALDH1A1APOBEC3AAPOBEC3G

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 1/4885MCHR1 32/4885ALDH1A1 4629/4885

“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.