SCHEMBL1114865

SCHEMBL1114865

CN(C(=O)CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
RXRA P19793 1/20 0.43
POLQ O75417 1/20 0.43
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
MDM2 Q00987 1/20 0.42
FOLH1 Q04609 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1114895 0.90 ALDH1A1 (0.49) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1114716 0.90 FOLH1 (0.46) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL7699124 0.89 ALDH1A1 (0.43) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1114994 0.88 FOLH1 (0.45) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1115085 0.88 FOLH1 (0.45) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1115013 0.88 FOLH1 (0.45) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1114953 0.88 FOLH1 (0.45) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL22170065 0.84 DRD4 (0.44) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1114948 0.84 DRD4 (0.48) DRD4KMT2AMEN1CHRNB2CHRNB4
SCHEMBL7364770 0.83 KMT2A (0.53) DRD4KMT2AMEN1POLQPHF8

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
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 DRD4 1522/4885KMT2A 3613/4885MEN1 2931/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 DRD4 1482/4885KMT2A 4020/4885MEN1 2107/4885
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 DRD4 4027/4885KMT2A 4537/4885MEN1 1531/4885

“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.