SCHEMBL4030875

SCHEMBL4030875

CC(CO)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KCNH2 Q12809 2/20 0.56
TMEM97 Q5BJF2 2/20 0.56
TSHR P16473 2/20 0.50
PNMT P11086 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 1/20 0.43
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
IDO1 P14902 3/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
S1PR3 Q99500 1/20 0.40

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
SCHEMBL6991057 0.94 MEN1 (0.52) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL9079836 0.82 TSHR (0.53) MEN1KMT2AKCNH2TMEM97TSHR
Hydrochloric Acid SCHEMBL9317352 0.82 SIGMAR1 (0.51) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL1287328 0.82 MEN1 (0.55) MEN1KMT2AKCNH2TMEM97TSHR
Hydrochloric Acid SCHEMBL11366476 0.81 TSHR (0.51) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL2257396 0.80 KCNH2 (0.56) MEN1KMT2AKCNH2TMEM97TSHR
Hydrochloric Acid SCHEMBL18130480 0.80 MEN1 (0.54) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL2257390 0.80 KCNH2 (0.56) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL27992596 0.79 MEN1 (0.53) MEN1KMT2AKCNH2TMEM97TSHR
SCHEMBL7263101 0.79 PNMT (0.59) MEN1KMT2AKCNH2TMEM97TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
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-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP 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
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP 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
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 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 (6 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 MEN1 2256/4885KMT2A 1430/4885KCNH2 1812/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 MEN1 3484/4885KMT2A 2505/4885KCNH2 2202/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 MEN1 279/4885KMT2A 3848/4885KCNH2 110/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA MEN1 2027/4885KMT2A 2015/4885KCNH2 3843/4885
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 MEN1 4362/4885KMT2A 3967/4885KCNH2 3912/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA MEN1 2027/4885KMT2A 2015/4885KCNH2 3843/4885

“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.