SCHEMBL6074992

SCHEMBL6074992

O=C1CCN(c2ccc(C(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CCKBR P32239 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CTSL P07711 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27580906 1.00 ACE (0.45) ACEMAPTTDP1POLBITGB3
SCHEMBL6074471 0.84 L3MBTL1 (0.50) POLBBCHEACHEKMT2AALDH1A1
SCHEMBL28138297 0.83 ACE (0.61) ACETDP1CCKBRCTSLMEN1
SCHEMBL28138300 0.83 ACE (0.61) ACETDP1CCKBRCTSLMEN1
SCHEMBL6074418 0.83 CYP1A2 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6075005 0.79 TDP1 (0.41) TDP1POLBCTSLMEN1KMT2A
SCHEMBL6074380 0.79 POLB (0.61) POLBCTSLKMT2AALDH1A1KDM4E
SCHEMBL29452999 0.76 ACE (0.55) ACECCKBRCTSLMEN1KMT2A
SCHEMBL6074926 0.75 RAB9A (0.61) MAPTMEN1KMT2AKDM4E
SCHEMBL7137853 0.75 MAPT (0.42) ACEMAPTTDP1POLBITGB3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ACE 1250/4885MAPT 565/4885TDP1 1110/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ACE 1250/4885MAPT 565/4885TDP1 1110/4885

“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.