SCHEMBL7095557

SCHEMBL7095557

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMO Q99835 1/20 0.45
LMNA P02545 8/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1G O43497 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL7096372 0.90 CYP3A4 (0.53) MEN1KMT2ACYP3A4CYP2C19SMO
SCHEMBL7570820 0.84 CYP3A4 (0.47) MEN1KMT2ACYP3A4CYP2C19SMO
SCHEMBL7092747 0.82 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C19SMO
SCHEMBL7096159 0.79 FAAH (0.53) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7145350 0.78 ADRB1 (0.55) MEN1KMT2ALMNAHSD17B10
SCHEMBL7094158 0.77 LMNA (0.56) MEN1KMT2ACYP3A4CYP2C19SMO
SCHEMBL7094245 0.76 LMNA (0.54) MEN1KMT2ACYP3A4CYP2C19SMO
SCHEMBL7095644 0.75 TPSAB1 (0.47) TPSAB1TPSD1TPSG1MAPK1POLB
SCHEMBL7700836 0.74 LMNA (0.66) MEN1KMT2ACYP3A4CYP2C19LMNA
SCHEMBL7143251 0.73 ADRB3 (0.45)

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 MEN1 2931/4885KMT2A 3613/4885CYP3A4 646/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2107/4885KMT2A 4020/4885CYP3A4 666/4885

“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.