SCHEMBL7095055

SCHEMBL7095055

NCCc1ccc(NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.61
AKR1C3 P42330 6/20 0.56
HDAC6 Q9UBN7 1/20 0.55
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
Formic Acid SCHEMBL7095420 0.96 HRH4 (0.57) HRH4AKR1C3HDAC6HRH1HRH3
SCHEMBL7243123 0.88 HRH4 (0.59) HRH4AKR1C3HDAC6HRH1HRH3
SCHEMBL7096591 0.87 HRH4 (0.56) HRH4AKR1C3HRH3POLB
Formic Acid SCHEMBL7574159 0.82 KMT2A (0.56) HRH4AKR1C3HRH3DRD2DRD3
SCHEMBL7568622 0.81 HRH4 (0.60) HRH4
SCHEMBL7096371 0.78 ADRB3 (0.69)
SCHEMBL13548604 0.78 AKR1C3 (0.76) HRH4AKR1C3HRH3POLBSMN1; SMN2
SCHEMBL7096114 0.78 MAPK14 (0.57) HDAC6HRH3DRD2DRD3
SCHEMBL7092693 0.78 RBP4 (0.51) SMN1; SMN2DRD2DRD3
SCHEMBL7092625 0.76 HRH4 (0.53) HRH4AKR1C3HRH3POLB

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 HRH4 242/4885AKR1C3 400/4885HDAC6 2420/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HRH4 256/4885AKR1C3 317/4885HDAC6 2515/4885

“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.