SCHEMBL7095370

SCHEMBL7095370

O=C(O)NCCc1ccc(NC2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.60
EPHX2 P34913 1/20 0.50
ADRB3 P13945 7/20 0.49
ADRB1 P08588 6/20 0.49
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.45
FAAH O00519 1/20 0.45
P2RY12 Q9H244 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TPSAB1 Q15661 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7093998 0.85 ADRB3 (0.65) EPHX2ADRB3ADRB1
Formic Acid SCHEMBL7095562 0.85 HRH3 (0.56) HRH3EPHX2ADRB3ADRB1HTT
SCHEMBL7092013 0.85 ADRB3 (0.53) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL7091498 0.85 ADRB1 (0.62) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL7091154 0.84 ADRB3 (0.51) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL7092879 0.82 PKM (0.53) HRH3ADRB3ADRB1MEN1KMT2A
SCHEMBL7095565 0.82 ADRB3 (0.50) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL7095375 0.81 KMT2A (0.58) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL7091403 0.81 ADRB3 (0.51) EPHX2ADRB3ADRB1MEN1KMT2A
SCHEMBL7092203 0.81 ADRB3 (0.57) ADRB3ADRB1MAPTTPSAB1POLB

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 HRH3 429/4885EPHX2 1109/4885ADRB3 3/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HRH3 477/4885EPHX2 1674/4885ADRB3 2/4885

“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.