SCHEMBL6074418

SCHEMBL6074418

O=C1CCN(c2ccc(C(=O)NCCC(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SCD O00767 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
HSP90AA1 P07900 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL6074765 0.84 CHRNA10 (0.48) CYP1A2CYP3A4CYP2C19PRSS1ALDH1A1
SCHEMBL12913502 0.83 PRSS1 (0.64) CYP1A2CYP3A4CYP2C19PRSS1CTSG
SCHEMBL6074992 0.83 ACE (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27580906 0.83 ACE (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27441071 0.81 PRSS1 (0.69) CYP1A2CYP3A4CYP2C19PRSS1CTSG
SCHEMBL15576223 0.80 PRSS1 (0.59) CYP1A2CYP3A4CYP2C19PRSS1CTSG
SCHEMBL27580952 0.80 CHRNA10 (0.43) CYP1A2ALDH1A1MAPTKMT2ADRD2
SCHEMBL6074926 0.79 RAB9A (0.61) KDM4EMAPTMEN1KMT2A
SCHEMBL27580958 0.78 MAPK1 (0.44) GAAALDH1A1MAPTDRD2DRD4
SCHEMBL27580963 0.76 MAPK1 (0.62) CYP1A2CYP2C19MAPTDRD2DRD4

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 6 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
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 CYP1A2 732/4885CYP3A4 1428/4885CYP2C19 1059/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP1A2 732/4885CYP3A4 1428/4885CYP2C19 1059/4885

“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.