SCHEMBL7092875

SCHEMBL7092875

COc1cccc(CCNC(=O)N2CCC(Nc3ccc(CCNC(=O)O)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
FAAH O00519 2/20 0.50
ADRB3 P13945 2/20 0.49
CHRM4 P08173 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CNR1 P21554 1/20 0.47
ADRB1 P08588 1/20 0.47
CCR3 P51677 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
SCHEMBL7092879 0.94 PKM (0.53) ALDH1A1LMNAFAAHADRB3MEN1
Formic Acid SCHEMBL7095598 0.89 ALDH1A1 (0.51) ALDH1A1LMNAFAAHADRB3SIGMAR1
SCHEMBL7094171 0.88 ALDH1A1 (0.50) ALDH1A1LMNAFAAHADRB3CHRM4
SCHEMBL7092873 0.85 ADRB3 (0.49) ALDH1A1FAAHADRB3CHRM4MEN1
SCHEMBL7096580 0.84 PKM (0.53) LMNAFAAHADRB3SIGMAR1MEN1
SCHEMBL7091403 0.83 ADRB3 (0.51) FAAHADRB3MEN1KMT2APOLB
SCHEMBL7092204 0.83 ADRB3 (0.49) ALDH1A1LMNAFAAHADRB3MEN1
SCHEMBL7095565 0.82 ADRB3 (0.50) ADRB3MEN1KMT2APOLBMAPT
SCHEMBL7095375 0.81 KMT2A (0.58) ALDH1A1ADRB3SIGMAR1MEN1KMT2A
SCHEMBL7092308 0.81 ALDH1A1 (0.47) ALDH1A1LMNAADRB3POLBADRB1

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 ALDH1A1 725/4885LMNA 2367/4885FAAH 853/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885LMNA 1884/4885FAAH 832/4885

“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.