SCHEMBL13039458

SCHEMBL13039458

O=CC1CN(Cc2cccc3c2OCCCO3)CCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RECQL P46063 1/20 0.38
CHRM4 P08173 2/20 0.37
FAAH O00519 1/20 0.36
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DRD4 P21917 1/20 0.36
MTNR1A P48039 1/20 0.36
PROKR2 Q8NFJ6 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL13039057 0.95 LMNA (0.40) L3MBTL1LMNAPOLBRECQLCHRM4
SCHEMBL13039455 0.91 LMNA (0.47) L3MBTL1LMNAPOLBRECQLFAAH
SCHEMBL13038818 0.75 MPO (0.51) RECQLFAAHDRD4
SCHEMBL13038922 0.72 DRD4 (0.53) CHRM4DRD4
SCHEMBL1947037 0.72 DRD4 (0.57) DRD4
SCHEMBL31663802 0.72 DRD4 (0.57) DRD4
SCHEMBL13039539 0.71 DRD4 (0.47) PDE2ADRD4
SCHEMBL13039064 0.71 DRD4 (0.42) RAB9ADRD4
SCHEMBL13039459 0.71 MAPT (0.52) POLBDRD4
SCHEMBL13039454 0.70 SLC6A2 (0.37) DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 4707/4885LMNA 571/4885POLB 3421/4885

“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.