SCHEMBL7096580

SCHEMBL7096580

COc1cccc(CNC(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
GLA P06280 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
FAAH O00519 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TSHR P16473 1/20 0.47
NAMPT P43490 1/20 0.46
KIT P10721 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL7092308 0.90 ALDH1A1 (0.47) PKMGLAHRH3ADRB1ADRB3
SCHEMBL7092879 0.90 PKM (0.53) PKMGLAHRH3FAAHADRB1
Formic Acid SCHEMBL7095598 0.88 ALDH1A1 (0.51) FAAHADRB1ADRB3SIGMAR1LMNA
SCHEMBL7092875 0.84 ALDH1A1 (0.56) FAAHADRB1ADRB3MEN1KMT2A
SCHEMBL7094171 0.82 ALDH1A1 (0.50) FAAHADRB1ADRB3MEN1KMT2A
Formic Acid SCHEMBL7094276 0.82 ADRB3 (0.49) FAAHADRB1ADRB3TSHRNAMPT
SCHEMBL7701957 0.80 ADRB3 (0.76) ADRB1ADRB3
SCHEMBL7091838 0.80 ADRB3 (0.76) ADRB1ADRB3
SCHEMBL7094555 0.79 ADRB1 (0.60) PKMADRB1ADRB3TSHRMEN1
SCHEMBL7092162 0.79 TPSAB1 (0.51) ADRB1ADRB3KMT2A

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 PKM 2765/4885GLA 995/4885HRH3 429/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PKM 2930/4885GLA 879/4885HRH3 477/4885

“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.