SCHEMBL3518904

SCHEMBL3518904

COc1c(F)cccc1CN1CCOC(C(=O)N(Cc2ccc3c(c2)OCCCO3)CC(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.63
KDM4E B2RXH2 6/20 0.40
GRIN2B Q13224 2/20 0.39
RXRB P28702 2/20 0.38
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12993157 0.92 PROKR2 (0.62) PROKR2KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3518055 0.92 PROKR2 (0.62) PROKR2KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3516302 0.90 PROKR2 (0.59) PROKR2KDM4EGRIN2BRXRBGLA
SCHEMBL3517978 0.90 PROKR2 (0.65) PROKR2KDM4EGLAALDH1A1LMNA
SCHEMBL3518872 0.89 PROKR2 (0.58) PROKR2KDM4EGRIN2BMAPK1ALDH1A1
SCHEMBL3523233 0.88 PROKR2 (0.67) PROKR2KDM4EGRIN2BGLAMAPK1
SCHEMBL3518632 0.88 PROKR2 (0.64) PROKR2KDM4EMAPK1ALDH1A1MCHR1
SCHEMBL3518689 0.88 PROKR2 (0.64) PROKR2KDM4EMAPK1ALDH1A1MCHR1
SCHEMBL3524424 0.88 PROKR2 (0.66) PROKR2KDM4EGLAALDH1A1MCHR1
SCHEMBL3517610 0.88 PROKR2 (0.66) PROKR2KDM4EGLAALDH1A1MCHR1

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 7 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
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 4734/4885GRIN2B 74/4885

“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.