SCHEMBL6073902

SCHEMBL6073902

O=C1NC(=O)/C(=C/c2ccc(N3CCC4(CC3)OCCO4)cc2)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 4/20 0.52
NR1H4 Q96RI1 1/20 0.52
LMNA P02545 1/20 0.52
PIM1 P11309 8/20 0.51
PIM2 Q9P1W9 8/20 0.51
PIM3 Q86V86 1/20 0.51
GSK3B P49841 3/20 0.50
MAOA P21397 2/20 0.50
AKR1B1 P15121 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6073906 1.00 MAPT (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6075871 0.90 NAT1 (0.54) RAB9AMEN1KMT2ANPC1PKM
SCHEMBL6074033 0.90 KMT2A (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6074038 0.90 KMT2A (0.54) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7613991 0.84 HRH3 (0.51) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL8181397 0.83 PIM1 (0.60) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6074617 0.82 PIM1 (0.49) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6074172 0.82 CISD1 (0.54) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL6074177 0.82 CISD1 (0.54) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL6074612 0.82 PIM1 (0.49) MAPTRAB9AMEN1KMT2ANPC1

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 MAPT 565/4885RAB9A 2015/4885MEN1 2224/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885RAB9A 2015/4885MEN1 2224/4885

“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.