SCHEMBL7096372

SCHEMBL7096372

O=C(O)NCCc1ccc(SC2CCN(C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMO Q99835 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CACNA1G O43497 2/20 0.40

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
SCHEMBL7095557 0.90 MEN1 (0.47) CYP3A4CYP2C19MEN1KMT2ASMO
SCHEMBL7570820 0.89 CYP3A4 (0.47) CYP3A4CYP2C19MEN1KMT2ASMO
SCHEMBL7097115 0.83 CYP3A4 (0.52) CYP3A4CYP2C19MEN1KMT2ASMO
SCHEMBL7145350 0.81 ADRB1 (0.55) MEN1KMT2ALMNA
SCHEMBL7696117 0.80 FAAH (0.51) ALDH1A1KDM4E
SCHEMBL7095592 0.78 ADRB3 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL7235028 0.78 ADRB3 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL7094245 0.78 LMNA (0.54) CYP3A4CYP2C19MEN1KMT2ASMO
SCHEMBL7091425 0.77 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL7094158 0.76 LMNA (0.56) CYP3A4CYP2C19MEN1KMT2ASMO

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 CYP3A4 646/4885CYP2C19 625/4885MEN1 2931/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP3A4 666/4885CYP2C19 612/4885MEN1 2107/4885

“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.