SCHEMBL1805899

SCHEMBL1805899

CC(=O)N(C[C@@H]1CN(Cc2cccc(Cl)c2)CCO1)Sc1nc(CC(=O)O)cs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.44
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1810448 0.93 DRD4 (0.46) DRD4CHRM2CHRM3KDM4ECNR1
SCHEMBL1808348 0.92 GRN (0.38) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1810421 0.91 DRD4 (0.42) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1805875 0.91 KDM4E (0.40) DRD4KDM4E
SCHEMBL1809254 0.91 DRD4 (0.45) DRD4
SCHEMBL1811847 0.91 DRD4 (0.39) DRD4
SCHEMBL1812511 0.90 DRD4 (0.47) DRD4
Bromide SCHEMBL2497172 0.90 DRD4 (0.44) DRD4
SCHEMBL1809878 0.89 DRD4 (0.45) DRD4KDM4E
SCHEMBL1811582 0.88 DRD4 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 DRD4 768/4885CHRM2 474/4885CHRM3 95/4885

“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.