SCHEMBL7097083

SCHEMBL7097083

NCCc1ccc(NC2CCN(C(=O)NCCc3cccc(F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.53
TPSD1 Q9BZJ3 1/20 0.53
TPSG1 Q9NRR2 1/20 0.53
ADRB3 P13945 7/20 0.49
ADRB1 P08588 6/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MLNR O43193 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FAAH O00519 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
CNR1 P21554 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL7092873 0.92 ADRB3 (0.49) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
Formic Acid SCHEMBL7094276 0.87 ADRB3 (0.49) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL7091154 0.86 ADRB3 (0.51) TPSAB1ADRB3ADRB1MEN1KMT2A
Formic Acid SCHEMBL7095380 0.86 TPSAB1 (0.57) TPSAB1TPSD1TPSG1ADRB3ADRB1
Formic Acid SCHEMBL7095598 0.82 ALDH1A1 (0.51) TPSAB1TPSD1TPSG1ADRB3ADRB1
SCHEMBL7095375 0.81 KMT2A (0.58) TPSAB1TPSD1TPSG1ADRB3ADRB1
SCHEMBL7094555 0.81 ADRB1 (0.60) TPSAB1TPSD1TPSG1ADRB3ADRB1
SCHEMBL7091850 0.81 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ADRB3ADRB1
SCHEMBL7094506 0.81 ADRB1 (0.64) TPSAB1TPSD1TPSG1ADRB3ADRB1
Formamide SCHEMBL7094949 0.80 ADRB3 (0.51) TPSAB1TPSD1TPSG1ADRB3ADRB1

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 TPSAB1 596/4885TPSD1 651/4885TPSG1 947/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TPSAB1 518/4885TPSD1 580/4885TPSG1 1098/4885

“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.