SCHEMBL7092058

SCHEMBL7092058

CCOC(=O)C1CCN(C(=O)N2CCC(=O)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 6/20 0.56
LIPE Q05469 1/20 0.55
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.50
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL7092519 0.85 ALDH1A1 (0.59) ALDH1A1LIPEKDM4ENPC1KMT2A
SCHEMBL5483 0.80 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENPC1KMT2A
SCHEMBL26117694 0.79 ALDH1A1 (0.52) MAPTALDH1A1KDM4ENPC1KMT2A
SCHEMBL1134499 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL1134501 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13618163 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL1720494 0.79 MAPT (0.72) MAPTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL7427079 0.78 ALDH1A1 (0.58) MAPTALDH1A1LIPEKDM4ECYP3A4
SCHEMBL18914538 0.78 MAPT (0.66) MAPTALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL900124 0.77 MAPT (0.70) MAPTALDH1A1KDM4ECYP3A4CYP2D6

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 5 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
WO-2002006229-A2 HETEROCYCLIC 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 MAPT 1539/4885ALDH1A1 725/4885LIPE 687/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 1106/4885ALDH1A1 524/4885LIPE 651/4885

“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.