SCHEMBL3521206

SCHEMBL3521206

Cc1c(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)cnn1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.46
CHKA P35790 2/20 0.37
DRD4 P21917 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP30 Q70CQ3 1/20 0.35
AGTR2 P50052 1/20 0.34
SPR P35270 1/20 0.34
GRM2 Q14416 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1I2 O75469 1/20 0.34
KCNH2 Q12809 1/20 0.34
MET P08581 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 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
SCHEMBL3518316 0.89 PROKR2 (0.49) PROKR2CHKADRD4SMN1; SMN2USP30
SCHEMBL3523257 0.87 PROKR2 (0.44) PROKR2CHKADRD4SMN1; SMN2USP30
SCHEMBL3523186 0.87 PROKR2 (0.46) PROKR2CHKASMN1; SMN2USP30AGTR2
SCHEMBL3516283 0.87 PROKR2 (0.43) PROKR2CHKADRD4SMN1; SMN2USP30
SCHEMBL3519932 0.87 PROKR2 (0.49) PROKR2CHKADRD4SMN1; SMN2USP30
SCHEMBL3521330 0.87 PROKR2 (0.52) PROKR2CHKASMN1; SMN2USP30AGTR2
SCHEMBL3518395 0.86 PROKR2 (0.48) PROKR2CHKADRD4SMN1; SMN2USP30
SCHEMBL3518777 0.86 PROKR2 (0.48) PROKR2CHKASMN1; SMN2USP30AGTR2
SCHEMBL14837335 0.86 PROKR2 (0.48) PROKR2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3521077 0.86 PROKR2 (0.47) PROKR2CHKADRD4SMN1; SMN2USP30

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 14 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
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
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 1/4885CHKA 2867/4885DRD4 790/4885

“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.