SCHEMBL4031677

SCHEMBL4031677

NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.65
CCR3 P51677 1/20 0.56
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL1809499 1.00 DRD4 (0.65) DRD4CCR3POLBSMN1; SMN2CYP1A2
SCHEMBL4026839 1.00 DRD4 (0.65) DRD4CCR3POLBSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL1809455 0.99 DRD4 (0.63) DRD4CCR3POLBSMN1; SMN2CYP1A2
Oxalic Acid SCHEMBL17891318 0.93 DRD4 (0.60) DRD4CCR3CYP1A2CYP3A4CYP2D6
SCHEMBL4224022 0.92 DRD4 (0.56) DRD4CCR3CYP1A2CYP3A4CYP2D6
SCHEMBL5619541 0.92 POLB (0.56) DRD4CCR3POLBSMN1; SMN2SIGMAR1
SCHEMBL4483054 0.88 DRD4 (0.67) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4228489 0.87 DRD4 (0.65) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8327024 0.87 DRD4 (0.65) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1811221 0.87 DRD4 (0.65) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2009-06-25 US disclosed
US-7531651-B2 Benzenesulphonate salt of a morpholine urea derivative for use as a CCR-3 antagonist in the treatment of inflammatory conditions GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-7531651-B2 Benzenesulphonate salt of a morpholine urea derivative for use as a CCR-3 antagonist in the treatment of inflammatory conditions GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-7531651-B2 Benzenesulphonate salt of a morpholine urea derivative for use as a CCR-3 antagonist in the treatment of inflammatory conditions GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
EP-1919884-A1 N-BENZYL-MORPHOLINE DERIVATIVES AS MODULATORS OF THE CHEMOKINE RECEPTOR AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003082834-A2 MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
WO-2003082835-A1 PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
EP-1324990-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026722-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 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 (2 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-20090118288-A1 N-Benzyl-Morpholine Derivatives as Modulators of the Chemokine Receptor CCR3, CCR1, CCR5 DRD4 1107/4885CCR3 1/4885POLB 2645/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA DRD4 2049/4885CCR3 239/4885POLB 2926/4885

“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.