SCHEMBL3521944

SCHEMBL3521944

CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.63
KDM4E B2RXH2 4/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
KMT2A Q03164 2/20 0.41
GRIN2B Q13224 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3520196 0.94 PROKR2 (0.60) PROKR2KDM4EDRD4DRD2DRD3
SCHEMBL3518041 0.92 PROKR2 (0.59) PROKR2KDM4EGRNSORT1KMT2A
SCHEMBL3518033 0.92 PROKR2 (0.59) PROKR2KDM4EGRNSORT1KMT2A
SCHEMBL3520200 0.92 PROKR2 (0.59) PROKR2KDM4EGRNSORT1KMT2A
SCHEMBL3517248 0.92 PROKR2 (0.64) PROKR2KDM4EDRD4GRNSORT1
SCHEMBL3516520 0.91 PROKR2 (0.60) PROKR2KDM4EKMT2AALDH1A1HTT
SCHEMBL3516923 0.91 PROKR2 (0.59) PROKR2KDM4EGRNSORT1KMT2A
SCHEMBL3519544 0.91 PROKR2 (0.57) PROKR2KDM4EKMT2AGRIN2BALDH1A1
SCHEMBL3521599 0.91 PROKR2 (0.61) PROKR2KDM4EGRNSORT1KMT2A
SCHEMBL3522296 0.91 PROKR2 (0.58) PROKR2KDM4EDRD4GRNSORT1

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.