SCHEMBL3519948

SCHEMBL3519948

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)C1CN(Cc2cnn(C)c2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.58
KDM4E B2RXH2 4/20 0.39
GRM2 Q14416 7/20 0.38
NR1I2 O75469 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 2/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE2A O00408 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3520969 0.98 PROKR2 (0.54) PROKR2KDM4EGRM2NR1I2KCNH2
SCHEMBL3518648 0.90 PROKR2 (0.53) PROKR2KDM4EGRM2KMT2AGRN
SCHEMBL3518160 0.88 PROKR2 (0.62) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL3516623 0.88 PROKR2 (0.63) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL3517508 0.88 PROKR2 (0.63) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL387975 0.88 PROKR2 (0.63) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL3518130 0.87 PROKR2 (0.58) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL565213 0.87 PROKR2 (0.62) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL3516648 0.87 PROKR2 (0.55) PROKR2KDM4EKMT2AGRNSORT1
SCHEMBL3519737 0.87 PROKR2 (0.51) PROKR2KMT2AGRNSORT1MEN1

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 8 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-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 1/4885KDM4E 4734/4885GRM2 64/4885

“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.