SCHEMBL6074097

SCHEMBL6074097

O=C(NOCc1ccccc1)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F12 P00748 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 4/20 0.42

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
SCHEMBL7142790 0.94 NPC1 (0.48) NPC1RAB9AMEN1KMT2AF12
SCHEMBL6134959 0.81 POLB (0.50) NPC1RAB9AF12MAPTKDM4E
SCHEMBL334490 0.80 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL333807 0.80 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6074926 0.80 RAB9A (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14131672 0.78 PRKDC (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6132438 0.77 MEN1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL737426 0.76 GRIN1 (0.47) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL6134378 0.75 ALDH1A1 (0.51) MEN1KMT2AF12MAPTHDAC3
SCHEMBL1663834 0.75 KDM4E (0.53) NPC1RAB9AMEN1KMT2AF12

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 NPC1 749/4885RAB9A 2015/4885MEN1 2224/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NPC1 749/4885RAB9A 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.