SCHEMBL7575801

SCHEMBL7575801

COC(Cc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1)OC.COC(Cc1ccc(NC2CCNCC2)cc1)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.51
CCR2 P41597 2/20 0.51
ROCK1 Q13464 2/20 0.51
LTA4H P09960 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ACHE P22303 5/20 0.47
BCHE P06276 3/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BACE1 P56817 4/20 0.46
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MALT1 Q9UDY8 1/20 0.44

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
SCHEMBL7095040 0.94 LTA4H (0.56) ROCK2CCR2ROCK1LTA4HMEN1
SCHEMBL7095012 0.84 HTR6 (0.40) ALDH1A1
SCHEMBL11537991 0.80 LTA4H (0.58) ROCK2CCR2ROCK1LTA4HMEN1
SCHEMBL7289534 0.78 KMT2A (0.70) ROCK2CCR2ROCK1LTA4HMEN1
SCHEMBL4951743 0.78 SIGMAR1 (0.64) MEN1KMT2AACHEBCHEGAA
SCHEMBL918426 0.78 KDM4E (0.66) ROCK2CCR2ROCK1LTA4HMEN1
SCHEMBL7288248 0.77 ACHE (0.68) ROCK2CCR2ROCK1LTA4HACHE
SCHEMBL924357 0.75 ACHE (0.68) ROCK2CCR2ROCK1LTA4HMEN1
SCHEMBL1448700 0.74 ACHE (0.62) MEN1KMT2AACHEBCHEBACE1
SCHEMBL8070227 0.74 ALDH1A1 (0.68) LTA4HMEN1KMT2AGAAKDM4E

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-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 (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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ROCK2 1694/4885CCR2 273/4885ROCK1 1651/4885

“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.