SCHEMBL7091945

SCHEMBL7091945

O=C(O)NCCc1ccc(NC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
RBP4 P02753 1/20 0.48
FLT3 P36888 8/20 0.47
MAPK10 P53779 2/20 0.46
GALR3 O60755 1/20 0.46
MAPT P10636 1/20 0.46
MAP4K4 O95819 1/20 0.44
NTRK1 P04629 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL7092693 0.88 RBP4 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7091974 0.83 HTT (0.56) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL7243123 0.79 HRH4 (0.59)
SCHEMBL7090760 0.78 ADRB3 (0.69)
SCHEMBL16002997 0.76 RBP4 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13826439 0.76 RBP4 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7095565 0.75 ADRB3 (0.50) MEN1KMT2AMAPT
SCHEMBL7092203 0.74 ADRB3 (0.57) MAPT
SCHEMBL7095635 0.74 LTA4H (0.59) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16000508 0.74 RBP4 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 RAB9A 1800/4885NPC1 1172/4885SMN1; SMN2 3162/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 RAB9A 1702/4885NPC1 985/4885SMN1; 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.