SCHEMBL3519337

SCHEMBL3519337

CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2cccc3c2OCC3)CCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 5/20 0.58
KDM4E B2RXH2 2/20 0.37
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
MCHR1 Q99705 1/20 0.34
OPRD1 P41143 1/20 0.34
LMNA P02545 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
SCHEMBL13039831 1.00 PROKR2 (0.58) PROKR2KDM4ECCR8KCNH2CHRM2
SCHEMBL3521195 0.98 PROKR2 (0.61) PROKR2KDM4ECCR8KCNH2CHRM2
SCHEMBL3518194 0.90 PROKR2 (0.64) PROKR2KDM4EALDH1A1HTTTDP1
SCHEMBL3516679 0.90 PROKR2 (0.64) PROKR2KDM4EALDH1A1HTTTDP1
SCHEMBL565611 0.89 PROKR2 (0.73) PROKR2KDM4ECCR8KCNH2CHRM2
SCHEMBL3516465 0.87 PROKR2 (0.56) PROKR2KDM4EALDH1A1HTTTDP1
SCHEMBL3519200 0.87 PROKR2 (0.61) PROKR2KDM4EALDH1A1HTTTDP1
SCHEMBL3516753 0.86 PROKR2 (0.52) PROKR2CCR8KCNH2CHRM2CHRM1
SCHEMBL3520269 0.85 PROKR2 (0.61) PROKR2KDM4EALDH1A1KMT2AGRN
SCHEMBL3518872 0.85 PROKR2 (0.58) PROKR2KDM4EALDH1A1HTTKMT2A

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-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-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
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 1/4885KDM4E 4734/4885CCR8 2530/4885

“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.