SCHEMBL7570728

SCHEMBL7570728

CCOC(=O)N1CCC(C(=O)N2CCC(Nc3ccc(CC(OC)OC)cc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.48
NOS2 P35228 3/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46

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
SCHEMBL7092354 0.79 POLB (0.53) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL764570 0.78 ALDH1A1 (0.65) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL16359223 0.77 KDM4E (0.61) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL11457429 0.76 KDM4E (0.63) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7092645 0.75 EPHX2 (0.47) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL1196914 0.74 NOS2 (0.65) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7091572 0.72 ACE (0.42) KMT2AALDH1A1MAPTHTTL3MBTL1
SCHEMBL22634120 0.72 KDM4E (0.64) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL596620 0.70 MAPT (0.54) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL596621 0.70 MAPT (0.54) KDM4ELMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CCR6 3060/4885KDM4E 4579/4885LMNA 1884/4885

“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.