SCHEMBL2485313

SCHEMBL2485313

CCOC(=O)CC(=O)[N]c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HTT P42858 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 3/20 0.40
NOS2 P35228 2/20 0.40
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 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
SCHEMBL2276925 0.81 LMNA (0.48) LMNAADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2215019 0.79 NOS3 (0.46) LMNAADRA2AADRA2BADRA2CGAA
SCHEMBL5970257 0.78 ADRA2A (0.43) LMNAADRA2AADRA2BADRA2CSMN1; SMN2
Hydrochloric Acid SCHEMBL7161081 0.75 ALDH1A1 (0.49) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL601821 0.74 LMNA (0.54) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL3536341 0.73 ADRA2A (0.44) ADRA2AADRA2BADRA2CSMN1; SMN2GAA
SCHEMBL9045499 0.72 GAA (0.68) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL27853660 0.71 GAA (0.54) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL30858931 0.70 LMNA (0.56) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL134991 0.70 LMNA (0.56) LMNASMN1; SMN2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060569-B1 Ethyl 3-[(2-{[4-Hexyloxycarbonylamino-imino-methyl)-phenylamino]-methyl}-1-methyl-1H-benzimidazol-5-carbonyl)-pyridin-2-yl-amino]-propionate methanesulfonate hemihydrate and its use as a medicament BOEHRINGER INGELHEIM PHARMA (DE) 2011-10-19 EP claimed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP claimed
EP-1485094-B2 DOSAGE FORM FOR ORAL ADMINISTRATION OF 3-[(2-{[4-(HEXYLOXYCARBONYLAMINO-IMINO-METHYL)-PHENYLAMINO]-METHYL}-1-METHYL-1H-BENZIMIDAZOL-5-CARBONYL)-PYRIDIN-2-YL-AMINO] PROPIONIC ACID ETHYL ESTER OR ITS SALTS BOEHRINGER INGELHEIM INT (DE) 2020-03-25 EP disclosed
WO-2014020555-A3 IMPROVED PROCESS FOR PREPARING DABIGATRAN ETEXILATE MESYLATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-03-27 WO disclosed
WO-2014020555-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-02-06 WO disclosed
US-20060183692-A1 Use of low molecular weight thrombin inhibitors in cholesterol-lowering therapy ASTRAZENECA AB (SE) 2006-08-17 US disclosed
EP-1608311-A1 USE OF LOW MOLECULAR WEIGHT THROMBIN INHIBITORS IN CHOLESTEROL-LOWERING THERAPY AstraZeneca AB (SE) 2005-12-28 EP disclosed
WO-2004082702-A1 USE OF LOW MOLECULAR WEIGHT THROMBIN INHIBITORS IN CHOLESTEROL-LOWERING THERAPY ASTRAZENECA AB (SE) 2004-09-30 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 (1 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-20060183692-A1 Use of low molecular weight thrombin inhibitors in cholesterol-lowering therapy PCSK9, APOB, PLAT LMNA 1428/4885ADRA2A 2674/4885ADRA2B 1605/4885

“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.