SCHEMBL7092296

SCHEMBL7092296

COc1ccc2[nH]c(C(=O)N3CCC(Nc4ccc(CCNC(=O)O)cc4)CC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HRH4 Q9H3N8 1/20 0.56
AKR1C3 P42330 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
DRD3 P35462 4/20 0.54
DRD2 P14416 3/20 0.54
FPR2 P25090 4/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL7092625 0.87 HRH4 (0.53) KMT2AMEN1HRH4AKR1C3FPR2
Formic Acid SCHEMBL7574159 0.86 KMT2A (0.56) KMT2AMEN1HRH4AKR1C3NPC1
SCHEMBL7243123 0.86 HRH4 (0.59) HRH4AKR1C3DRD3DRD2HRH3
SCHEMBL7091254 0.82 ADRB3 (0.66) DRD3DRD2
SCHEMBL7569026 0.77 ADRB3 (0.51) KMT2AMEN1AKR1C3DRD3DRD2
SCHEMBL7092875 0.77 ALDH1A1 (0.56) KMT2AMEN1MAPT
SCHEMBL7096591 0.76 HRH4 (0.56) KMT2AMEN1HRH4AKR1C3FPR2
SCHEMBL7092879 0.76 PKM (0.53) KMT2AMEN1HRH3
SCHEMBL9410569 0.75 HRH4 (0.74) KMT2AMEN1HRH4AKR1C3NPC1
SCHEMBL7097003 0.75 PLCG2 (0.57) KMT2AHRH4NPC1RAB9AMAPT

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 KMT2A 3613/4885MEN1 2931/4885HRH4 242/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 4020/4885MEN1 2107/4885HRH4 256/4885

“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.