SCHEMBL4030129

SCHEMBL4030129

Cc1oc(-c2cccnc2)nc1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.51
PPARG P37231 5/20 0.51
PPARA Q07869 5/20 0.51
IKBKB O14920 1/20 0.48
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
F2 P00734 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
ELANE P08246 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Lithium Ion SCHEMBL5832915 0.97 KDM4E (0.71) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL27630799 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL893027 0.86 KDM4E (1.00) KDM4EHPGDPPARGPPARANPC1
SCHEMBL13633903 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL4415685 0.80 NPC1 (0.49) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL4392581 0.80 PPARG (0.62) PPARGPPARA
SCHEMBL20022402 0.79 IKBKB (0.58) KDM4EALDH1A1HPGDIKBKBNPC1
SCHEMBL3800800 0.79 KDM4E (0.80) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL6817027 0.77 KDM4E (0.64) KDM4EHPGDPPARGPPARANPC1
SCHEMBL5099375 0.77 KDM4E (0.72) KDM4EALDH1A1HPGDPPARGPPARA

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 9 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 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
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

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 KDM4E 2863/4885ALDH1A1 3130/4885HPGD 2765/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 KDM4E 3596/4885ALDH1A1 1003/4885HPGD 1236/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA KDM4E 3869/4885ALDH1A1 1688/4885HPGD 2274/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA KDM4E 3869/4885ALDH1A1 1688/4885HPGD 2274/4885

“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.