SCHEMBL490079

SCHEMBL490079

CN(C)C(=O)[C@H]1CCCN1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.66
SCN4A P35499 1/20 0.54
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
PRCP P42785 1/20 0.41
DPP4 P27487 5/20 0.41
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 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
SCHEMBL255493 1.00 GLI1 (0.66) GLI1SCN4ANOS2NOS3NOS1
SCHEMBL894617 1.00 GLI1 (0.66) GLI1SCN4ANOS2NOS3NOS1
Hydrochloric Acid SCHEMBL27654729 0.98 GLI1 (0.63) GLI1SCN4ANOS2NOS3NOS1
Hydrochloric Acid SCHEMBL490043 0.98 GLI1 (0.63) GLI1SCN4ANOS2NOS3NOS1
SCHEMBL28418653 0.98 GLI1 (0.63) GLI1SCN4ANOS2NOS3NOS1
Hydrochloric Acid SCHEMBL6387850 0.98 GLI1 (0.63) GLI1SCN4ANOS2NOS3NOS1
SCHEMBL16992331 0.94 GLI1 (0.58) GLI1SCN4ANOS2NOS3NOS1
SCHEMBL3832254 0.94 GLI1 (0.58) GLI1SCN4ANOS2NOS3NOS1
SCHEMBL2917600 0.94 GLI1 (0.58) GLI1SCN4ANOS2NOS3NOS1
Hydrochloric Acid SCHEMBL5430649 0.92 GLI1 (0.56) GLI1SCN4ANOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073746-A Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME 2015-11-18 CN claimed
CN-104918940-A Purine inhibitors of human phosphatidylinositol 3-kinase MERCK SHARP & DOHME 2015-09-16 CN claimed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN claimed
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US claimed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
CN-105073746-A Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME 2015-11-18 CN disclosed
CN-104918940-A Purine inhibitors of human phosphatidylinositol 3-kinase MERCK SHARP & DOHME 2015-09-16 CN disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
CN-1886399-A Quinazoline derivatives ASTRAZENECA AB (SE) 2006-12-27 CN disclosed
CN-1882576-A Quinazoline derivatives ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
CN-1681795-A Pyrimidyl sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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 (3 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF GLI1 4094/4885SCN4A 3701/4885NOS2 2431/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI GLI1 3498/4885SCN4A 4050/4885NOS2 1181/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 GLI1 3697/4885SCN4A 2893/4885NOS2 3449/4885

“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.