SCHEMBL7092551

SCHEMBL7092551

O=C(O)NCCc1ccc(OC2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.57
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
CHRNA7 P36544 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
CCR1 P32246 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2J2 P51589 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL7096653 0.87 EPHX2 (0.59) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL13873652 0.87 EPHX2 (0.58) EPHX2ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL4105262 0.87 CHRNA7 (0.66) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL13873498 0.87 EPHX2 (0.64) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL13873823 0.85 EPHX2 (0.56) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4101221 0.85 EPHX2 (0.61) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL12466289 0.85 EPHX2 (0.61) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL7699864 0.84 EPHX2 (0.51) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13890321 0.83 EPHX2 (0.59) EPHX2ALDH1A1TSHRCHRNA7SMN1; SMN2
SCHEMBL7091498 0.82 ADRB1 (0.62) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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 4 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

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 1109/4885ALDH1A1 725/4885TSHR 603/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 EPHX2 1674/4885ALDH1A1 524/4885TSHR 552/4885

“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.