SCHEMBL7095801

SCHEMBL7095801

O=C(NCc1ccc(-n2cccn2)cc1C(F)(F)F)N1CCC(Nc2ccc(CCNC(O)CCOc3ccc(O)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.51
ADRB1 P08588 15/20 0.51
ADRB2 P07550 2/20 0.42
EPHX2 P34913 1/20 0.34
CACNA1F O60840 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD2 P14416 1/20 0.33
TACR2 P21452 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
TACR1 P25103 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL7597276 0.88 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7094708 0.88 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7091587 0.83 ADRB3 (0.42) ADRB3ADRB1ADRB2EPHX2
Formic Acid SCHEMBL7094710 0.80 ADRB3 (0.41) ADRB3ADRB1ADRB2EPHX2
SCHEMBL7096008 0.79 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7090695 0.73 ADRB3 (0.83) ADRB3ADRB1ADRB2
SCHEMBL7091429 0.69 ADRB3 (0.93) ADRB3ADRB1ADRB2
SCHEMBL7095959 0.67 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7094546 0.67 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7096121 0.67 ADRB3 (0.51) ADRB3ADRB1ADRB2EPHX2SIGMAR1

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 2 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

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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 1/4885

“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.