SCHEMBL3520056

SCHEMBL3520056

COc1cc(CN2CCO[C@@H](C(=O)N(Cc3ccc4c(c3)OCCCO4)CC(C)C)C2)ccc1F

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.83
KDM4E B2RXH2 3/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
MCHR1 Q99705 4/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GLA P06280 1/20 0.38
TARDBP Q13148 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL3521885 1.00 PROKR2 (0.83) PROKR2KDM4EDRD4DRD2DRD3
SCHEMBL14514874 0.92 PROKR2 (0.70) PROKR2KDM4EDRD4DRD2DRD3
SCHEMBL3522305 0.92 PROKR2 (0.70) PROKR2KDM4EDRD4DRD2DRD3
SCHEMBL20936098 0.91 PROKR2 (1.00) PROKR2KDM4EDRD4DRD2DRD3
SCHEMBL3523233 0.89 PROKR2 (0.67) PROKR2KDM4EGLAAPOBEC3AAPOBEC3G
SCHEMBL3518617 0.89 PROKR2 (0.68) PROKR2KDM4EDRD4MCHR1KMT2A
SCHEMBL3517284 0.88 PROKR2 (0.66) PROKR2KDM4EDRD4MCHR1KMT2A
SCHEMBL3517610 0.88 PROKR2 (0.66) PROKR2KDM4EMCHR1KMT2AGLA
SCHEMBL3524424 0.88 PROKR2 (0.66) PROKR2KDM4EMCHR1KMT2AGLA
SCHEMBL3518512 0.88 PROKR2 (0.65) PROKR2KDM4ESMN1; SMN2GLAAPOBEC3A

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 10 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-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

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 4734/4885DRD4 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.