SCHEMBL3516753

SCHEMBL3516753

CC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2cccc3c2OCC3)CCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.52
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CHKA P35790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 5/20 0.35
AGTR2 P50052 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
ACKR3 P25106 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE6D O43924 1/20 0.32

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
SCHEMBL3518212 0.91 PROKR2 (0.56) PROKR2USP30CHKASMN1; SMN2MET
SCHEMBL3519071 0.90 PROKR2 (0.60) PROKR2USP30CHKASMN1; SMN2AGTR2
SCHEMBL3521915 0.89 PROKR2 (0.53) PROKR2USP30CHKASMN1; SMN2LMNA
SCHEMBL14837306 0.88 PROKR2 (0.53) PROKR2CCR8KCNH2SMN1; SMN2LMNA
SCHEMBL3518316 0.88 PROKR2 (0.49) PROKR2USP30CHKASMN1; SMN2AGTR2
SCHEMBL3521330 0.87 PROKR2 (0.52) PROKR2USP30CHKASMN1; SMN2AGTR2
SCHEMBL3519932 0.87 PROKR2 (0.49) PROKR2USP30CHKASMN1; SMN2AGTR2
SCHEMBL3518777 0.86 PROKR2 (0.48) PROKR2USP30CHKASMN1; SMN2AGTR2
SCHEMBL13039831 0.86 PROKR2 (0.58) PROKR2CCR8KCNH2SMN1; SMN2LMNA
SCHEMBL3519337 0.86 PROKR2 (0.58) PROKR2CCR8KCNH2SMN1; SMN2LMNA

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 9 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

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 1/4885CCR8 2530/4885KCNH2 1975/4885

“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.