SCHEMBL7092354

SCHEMBL7092354

CCOC(=O)C1CCCN(C(=O)N2CCC(Nc3ccc(CC(OC)OC)cc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FPR2 P25090 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PPIB P23284 1/20 0.48
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 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
SCHEMBL7570728 0.79 CCR6 (0.51) GAAALDH1A1MAPTHTTMEN1
SCHEMBL7091572 0.76 ACE (0.42) ALDH1A1MAPTNPC1RAB9AHTT
Formic Acid SCHEMBL7094985 0.73 NPC1 (0.52) POLBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7092645 0.71 EPHX2 (0.47) GAAALDH1A1MAPTRAB9AHTT
SCHEMBL7092519 0.71 ALDH1A1 (0.59) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5448451 0.70 HRH3 (0.60) ALDH1A1SMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL5448454 0.70 HRH3 (0.60) ALDH1A1SMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL7091492 0.70 ALDH1A1 (0.54) POLBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5418453 0.69 KDM4E (0.60) ALDH1A1SMN1; SMN2MAPTNPC1KMT2A
SCHEMBL5434398 0.69 KDM4E (0.60) ALDH1A1SMN1; SMN2MAPTNPC1KMT2A

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 POLB 2061/4885GAA 1359/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 2195/4885GAA 1432/4885ALDH1A1 524/4885

“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.