SCHEMBL3516679

SCHEMBL3516679

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)C1CN(Cc2cccc3c2OCCO3)CCO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 5/20 0.64
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
OPRD1 P41143 1/20 0.34
MEN1 O00255 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
SCHEMBL3518194 1.00 PROKR2 (0.64) PROKR2KDM4ELMNAPOLBALDH1A1
SCHEMBL3519200 0.97 PROKR2 (0.61) PROKR2KDM4ELMNAPOLBALDH1A1
SCHEMBL3521195 0.92 PROKR2 (0.61) PROKR2KDM4ELMNAALDH1A1HPGD
SCHEMBL3519337 0.90 PROKR2 (0.58) PROKR2KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL13039831 0.90 PROKR2 (0.58) PROKR2KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL14847291 0.90 PROKR2 (0.52) PROKR2KDM4ELMNAPOLBALDH1A1
SCHEMBL3520285 0.90 PROKR2 (0.59) PROKR2KDM4EPOLBALDH1A1HPGD
SCHEMBL3516302 0.88 PROKR2 (0.59) PROKR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3517883 0.88 PROKR2 (0.63) PROKR2KDM4ELMNAPOLBALDH1A1
SCHEMBL3516465 0.88 PROKR2 (0.56) PROKR2KDM4ELMNAPOLBALDH1A1

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 4734/4885LMNA 571/4885

“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.