SCHEMBL3520053

SCHEMBL3520053

COc1c(CN2CCOC(C(=O)N(Cc3ccc4c(c3)OCCCO4)CC(C)C)C2)c(C)nn1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.57
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCHR1 Q99705 4/20 0.34
GLA P06280 1/20 0.34
SHMT2 P34897 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE2A O00408 1/20 0.32
GAA P10253 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
SCHEMBL3516521 0.91 PROKR2 (0.54) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3522211 0.90 PROKR2 (0.56) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3516858 0.90 PROKR2 (0.56) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3519332 0.88 PROKR2 (0.54) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3518764 0.88 PROKR2 (0.53) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3518512 0.85 PROKR2 (0.65) PROKR2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3522266 0.84 PROKR2 (0.55) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3518537 0.84 PROKR2 (0.52) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3516648 0.84 PROKR2 (0.55) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14514874 0.83 PROKR2 (0.70) PROKR2KDM4EALDH1A1SMN1; SMN2MCHR1

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 4734/4885ALDH1A1 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.