SCHEMBL7091492

SCHEMBL7091492

CCOC(=O)C1CCN(C(=O)N2CCC(Nc3ccc(CCNC(=O)OC(C)(C)C)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.48
NAMPT P43490 1/20 0.47
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
Formic Acid SCHEMBL7094985 0.80 NPC1 (0.52) ALDH1A1KMT2AMEN1NPC1HTT
SCHEMBL7091709 0.80 ADRB3 (0.59) ALDH1A1NPC1NAMPTHTTMAPT
SCHEMBL7091374 0.79 NAMPT (0.48) ALDH1A1NPC1NAMPTHTTMAPT
SCHEMBL7091377 0.78 ADRB3 (0.49) ALDH1A1TSHRNPC1NAMPTHTT
SCHEMBL7091316 0.78 ALDH1A1 (0.49) ALDH1A1NPC1NAMPTHTTKDM4E
SCHEMBL7095896 0.78 TAAR1 (0.53) ALDH1A1KMT2AMEN1TSHRNPC1
Formic Acid SCHEMBL7091936 0.76 TPSAB1 (0.48) ALDH1A1NPC1NAMPTHTTMAPT
SCHEMBL23928179 0.76 NAMPT (0.52) ALDH1A1NPC1NAMPTHTTMAPT
SCHEMBL7090774 0.76 NAMPT (0.52) ALDH1A1NPC1NAMPTHTTMAPT
SCHEMBL23928203 0.76 NAMPT (0.52) ALDH1A1NPC1NAMPTHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ALDH1A1 725/4885KMT2A 3613/4885MEN1 2931/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885KMT2A 4020/4885MEN1 2107/4885

“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.