SCHEMBL13038818

SCHEMBL13038818

O=CC1CN(Cc2ccccc2O)CCO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.51
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TACR1 P25103 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
DRD4 P21917 4/20 0.41
FAAH O00519 1/20 0.40
RECQL P46063 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13038922 0.81 DRD4 (0.53) KDM4ETSHRTACR1MEN1KMT2A
SCHEMBL1947037 0.80 DRD4 (0.57) DRD4DRD2DRD3
SCHEMBL31663802 0.80 DRD4 (0.57) DRD4DRD2DRD3
SCHEMBL13039459 0.79 MAPT (0.52) KDM4EKMT2ADRD4DRD2
SCHEMBL13039454 0.78 SLC6A2 (0.37) DRD4DRD2DRD3
SCHEMBL13039540 0.78 DRD4 (0.44) DRD4DRD2DRD3
SCHEMBL13039455 0.77 LMNA (0.47) ALDH1A1MEN1KMT2ADRD4FAAH
SCHEMBL13039057 0.77 LMNA (0.40) DRD4FAAHRECQLDRD2
SCHEMBL13038925 0.75 LMNA (0.50) TSHRALDH1A1MEN1KMT2ADRD4
SCHEMBL13039458 0.75 L3MBTL1 (0.43) DRD4FAAHRECQL

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 MPO 3090/4885KDM4E 4734/4885TSHR 442/4885

“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.