SCHEMBL7091572

SCHEMBL7091572

COC(Cc1ccc(NC2CCN(C(=O)N3CCC[C@H]3C(=O)O)CC2)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.42
LTA4H P09960 2/20 0.41
MME P08473 1/20 0.41
MMEL1 Q495T6 1/20 0.41
MAPT P10636 2/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ACE2 Q9BYF1 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 0.76 POLB (0.53) MAPTKMT2AALDH1A1NPC1HTT
SCHEMBL7092645 0.74 EPHX2 (0.47) MAPTKMT2AALDH1A1HTTRAB9A
SCHEMBL7570728 0.72 CCR6 (0.51) MAPTKMT2AALDH1A1HTTL3MBTL1
SCHEMBL7096046 0.72 ADRB3 (0.45) ADRB1ADRB3
SCHEMBL7095040 0.70 LTA4H (0.56) LTA4HKMT2AALDH1A1HTT
SCHEMBL7095012 0.68 HTR6 (0.40) ALDH1A1
SCHEMBL7096317 0.68 ADRB1 (0.60) ADRB1ADRB3KMT2A
SCHEMBL6437755 0.66 DPP4 (0.69) ACE
SCHEMBL6437757 0.66 DPP4 (0.69) ACE
SCHEMBL7575801 0.66 ROCK2 (0.51) LTA4HKMT2AALDH1A1HTT

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 ACE 413/4885LTA4H 2156/4885MME 1430/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ACE 478/4885LTA4H 2327/4885MME 1541/4885

“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.