SCHEMBL7092234

SCHEMBL7092234

CCNC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.70
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NPC1 O15118 4/20 0.68
ALDH1A1 P00352 3/20 0.64
LTA4H P09960 2/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PABPC1 P11940 1/20 0.62
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
GBA1 P04062 1/20 0.60

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
SCHEMBL21295527 0.86 MEN1 (0.77) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL27710659 0.85 RAB9A (0.71) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL321314 0.84 NOX1 (0.62) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4666213 0.84 RAB9A (0.66) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12585091 0.84 NOX1 (0.73) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL31662300 0.83 EPHX1 (0.60) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL321103 0.83 LTA4H (0.68) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6688599 0.83 NOX1 (0.61) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL23747763 0.83 NPC1 (0.78) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2170643 0.82 LTA4H (0.76) NOX1RAB9ASMN1; SMN2NPC1ALDH1A1

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 NOX1 567/4885RAB9A 1800/4885SMN1; SMN2 3162/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NOX1 392/4885RAB9A 1702/4885SMN1; SMN2 2712/4885

“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.