SCHEMBL7091774

SCHEMBL7091774

CCN(CC)C(=O)N1CCC(Nc2ccc(CCN)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.58
ADRB3 P13945 4/20 0.58
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.47
RORC P51449 2/20 0.44
MLNR O43193 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42

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 SCHEMBL7096335 0.95 ADRB3 (0.57) ADRB1ADRB3NPSR1TSHRMAPT
SCHEMBL7091818 0.86 ADRB3 (0.59) ADRB1ADRB3NPSR1TSHRMAPT
SCHEMBL7092162 0.81 TPSAB1 (0.51) ADRB1ADRB3MAPTMLNRCA12
Formic Acid SCHEMBL7095073 0.78 TPSAB1 (0.47) ADRB1ADRB3MAPTMLNRCA12
Formic Acid SCHEMBL7092211 0.78 ADRB3 (0.54) ADRB1ADRB3MAPTMLNRCA12
Formic Acid SCHEMBL7096122 0.77 ADRB3 (0.55) ADRB1ADRB3MAPTMLNRCA12
Formic Acid SCHEMBL7094336 0.77 ADRB3 (0.58) ADRB1ADRB3MAPTMLNRCA12
SCHEMBL7095127 0.77 ADRB3 (0.62) ADRB1ADRB3MAPK1EPHX2
SCHEMBL7090658 0.76 SIGLEC9 (0.61) TSHRMAPTMLNRCA12CA1
SCHEMBL7091755 0.76 TPSAB1 (0.51) ADRB1ADRB3TSHRCA12CA1

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 ADRB1 2/4885ADRB3 3/4885NPSR1 209/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885NPSR1 206/4885

“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.