SCHEMBL7094705

SCHEMBL7094705

CCCCCCNC(=O)N1CCC(Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
NAMPT P43490 2/20 0.51
EPHX2 P34913 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
NAAA Q02083 1/20 0.46
EPHX1 P07099 10/20 0.46
PRCP P42785 1/20 0.45

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
SCHEMBL7092141 1.00 HTT (0.53) HTTNAMPTEPHX2TDP1NAAA
SCHEMBL7091820 0.86 HTT (0.54) HTTNAMPTEPHX2TDP1NAAA
SCHEMBL7090664 0.86 HTT (0.54) HTTNAMPTEPHX2TDP1NAAA
SCHEMBL24176160 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL28165171 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL28273729 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL4285086 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL10739048 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL10739485 0.85 TDP1 (0.65) HTTNAMPTTDP1NAAAEPHX1
SCHEMBL7092041 0.83 HTT (0.51) HTTNAMPTEPHX2TDP1NAAA

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 HTT 1613/4885NAMPT 2905/4885EPHX2 1109/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HTT 1194/4885NAMPT 2909/4885EPHX2 1674/4885

“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.