SCHEMBL7092645

SCHEMBL7092645

COC(=O)c1ccc(C(=O)N2CCC(Nc3ccc(CC(OC)OC)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
EPHX1 P07099 2/20 0.47
HTT P42858 1/20 0.47
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17560233 0.78 EPHX2 (0.54) EPHX2HTTHPGDMAPTALDH1A1
SCHEMBL17560251 0.78 MAPT (0.64) EPHX2EPHX1HTTHPGDMAPT
SCHEMBL11891454 0.77 PLA2G1B (0.52) EPHX2EPHX1GAAMEN1KMT2A
SCHEMBL15772079 0.76 LOXL2 (0.61) HPGDMAPTALDH1A1GAAMEN1
SCHEMBL7570728 0.75 CCR6 (0.51) HTTMAPTALDH1A1GAAMEN1
SCHEMBL23448724 0.75 LMNA (0.58) EPHX2HPGDMAPTALDH1A1MEN1
SCHEMBL4240078 0.75 ALDH1A1 (0.67) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL31572050 0.75 ALDH1A1 (0.56) EPHX2HTTHPGDMAPTALDH1A1
SCHEMBL8658563 0.74 HPGD (0.68) EPHX2EPHX1HPGDALDH1A1KMT2A
SCHEMBL7091572 0.74 ACE (0.42) HTTMAPTALDH1A1KMT2ARAB9A

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 EPHX2 1109/4885EPHX1 1421/4885HTT 1613/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 EPHX2 1674/4885EPHX1 1600/4885HTT 1194/4885

“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.