SCHEMBL4028498

SCHEMBL4028498

O=C(Cc1ccc(Cl)c(Cl)c1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.66
DRD4 P21917 7/20 0.54
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
SIGMAR1 Q99720 3/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL4025737 0.95 CCR3 (0.63) CCR3DRD4ALPLALPIALPG
SCHEMBL4024938 0.94 CCR3 (0.62) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL4021624 0.93 CCR3 (0.59) CCR3DRD4ALPLALPIALPG
SCHEMBL4021803 0.93 CCR3 (0.59) CCR3DRD4ALPLALPIALPG
SCHEMBL5832605 0.93 CCR3 (0.64) CCR3DRD4ALPLALPIALPG
SCHEMBL4024498 0.93 CCR3 (0.61) CCR3DRD4ALPLALPIALPG
SCHEMBL4156918 0.93 CCR3 (0.61) CCR3DRD4ALPLALPIALPG
SCHEMBL5867083 0.92 CCR3 (0.65) CCR3DRD4ALPLALPIALPG
SCHEMBL7086085 0.91 CCR3 (0.57) CCR3DRD4ALPLALPIALPG
SCHEMBL5867076 0.91 CCR3 (0.57) CCR3DRD4ALPLALPIALPG

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-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP claimed
US-7101882-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2006-09-05 US claimed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US claimed
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP 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-7101882-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2006-09-05 US disclosed
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 US disclosed
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 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 (4 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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL CCR3 7/4885DRD4 3922/4885ALPL 4392/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 CCR3 4181/4885DRD4 210/4885ALPL 2116/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA CCR3 239/4885DRD4 2049/4885ALPL 2498/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA CCR3 239/4885DRD4 2049/4885ALPL 2498/4885

“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.