SCHEMBL6074355

SCHEMBL6074355

N=C1NC(=O)C(=Cc2ccc(N3CCC(=O)CC3)cc2)S1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MRE11 P49959 1/20 0.59
POLB P06746 2/20 0.56
XDH P47989 2/20 0.53
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
PTGS2 P35354 2/20 0.44
ACHE P22303 1/20 0.44
PIM1 P11309 6/20 0.44
PIM2 Q9P1W9 5/20 0.44
PIM3 Q86V86 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6074351 1.00 MEN1 (0.59) MEN1KMT2AMRE11POLBXDH
SCHEMBL6074055 0.89 PIM1 (0.57) MEN1KMT2APIM1PIM2PIM3
SCHEMBL6074052 0.89 PIM1 (0.57) MEN1KMT2APIM1PIM2PIM3
SCHEMBL6074509 0.84 NAT1 (0.59) CLK1DYRK1ADYRK1BRAB9ANPC1
SCHEMBL6074506 0.84 NAT1 (0.59) CLK1DYRK1ADYRK1BRAB9ANPC1
SCHEMBL6074038 0.82 KMT2A (0.54) MEN1KMT2AMRE11POLBXDH
SCHEMBL6074033 0.82 KMT2A (0.54) MEN1KMT2AMRE11POLBXDH
SCHEMBL8181397 0.77 PIM1 (0.60) MEN1KMT2APTGS2ACHEPIM1
SCHEMBL15332599 0.76 MEN1 (0.73) MEN1KMT2AMRE11POLBXDH
SCHEMBL15332601 0.76 MEN1 (0.73) MEN1KMT2AMRE11POLBXDH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2224/4885KMT2A 3638/4885MRE11 4520/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2224/4885KMT2A 3638/4885MRE11 4520/4885

“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.