SCHEMBL7094555

SCHEMBL7094555

NCCc1ccc(NC2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.60
ADRB3 P13945 6/20 0.60
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
TPSAB1 Q15661 2/20 0.50
TPSD1 Q9BZJ3 2/20 0.50
TPSG1 Q9NRR2 2/20 0.50
MLNR O43193 2/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.50
ADRB2 P07550 1/20 0.47

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 SCHEMBL7094256 0.96 ADRB1 (0.59) ADRB1ADRB3ALDH1A1TSHRMEN1
SCHEMBL7094506 0.88 ADRB1 (0.64) ADRB1ADRB3ALDH1A1TSHRMEN1
SCHEMBL7096411 0.88 ADRB1 (0.62) ADRB1ADRB3ALDH1A1TSHRMEN1
SCHEMBL7091498 0.88 ADRB1 (0.62) ADRB1ADRB3ALDH1A1TSHRMEN1
Formic Acid SCHEMBL7097395 0.87 ADRB3 (0.51) ADRB1ADRB3ALDH1A1TSHRMEN1
SCHEMBL7095310 0.87 ADRB1 (0.57) ADRB1ADRB3ALDH1A1TSHRMEN1
Formamide SCHEMBL7094949 0.87 ADRB3 (0.51) ADRB1ADRB3ALDH1A1TSHRMEN1
Formic Acid SCHEMBL7095380 0.87 TPSAB1 (0.57) ADRB1ADRB3MEN1KMT2ASMN1; SMN2
SCHEMBL7091159 0.86 ADRB1 (0.63) ADRB1ADRB3ALDH1A1TSHRMEN1
Formic Acid SCHEMBL7094738 0.85 ADRB3 (0.63) ADRB1ADRB3ALDH1A1TSHRMEN1

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 ADRB1 2/4885ADRB3 3/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ALDH1A1 524/4885

“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.