SCHEMBL7091606

SCHEMBL7091606

CC(C)(C)NC(=O)OCCOc1ccc(NC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ITGAV P06756 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL7695976 0.82 MAPT (0.43) ITGB3ITGA2BMAPTEPHX1KDM1A
SCHEMBL7091610 0.79 CA12 (0.54) ITGB3ITGA2BMAPTEPHX1ALDH1A1
SCHEMBL7092777 0.75 MEN1 (0.44) ITGB3ITGA2BMAPTEPHX1KDM1A
SCHEMBL28232829 0.73 LMNA (0.46) MAPTLMNATP53ALDH1A1MEN1
SCHEMBL28904086 0.73 MEN1 (0.59) MAPTLMNATP53ALDH1A1MEN1
SCHEMBL27982971 0.73 RAB9A (0.62) MAPTLMNATP53ALDH1A1MEN1
Hydrochloric Acid SCHEMBL13582945 0.71 KDM4E (0.42) ITGB3ITGA2BMAPTMEN1KMT2A
SCHEMBL28191611 0.71 ALDH1A1 (0.47) MAPTLMNATP53ALDH1A1MEN1
SCHEMBL2233187 0.71 MAOB (0.43) ITGB3ITGA2BHTR6
SCHEMBL27791277 0.70 ITGB3 (0.41) ITGB3ITGA2BMAPTEPHX1MEN1

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 ITGB3 864/4885ITGA2B 1233/4885MAPT 1539/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ITGB3 970/4885ITGA2B 1672/4885MAPT 1106/4885

“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.