SCHEMBL6074161

SCHEMBL6074161

O=Cc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A3 P47895 6/20 0.47
ALDH3A1 P30838 1/20 0.47
MAPT P10636 3/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
FLT3 P36888 1/20 0.42
NPC1 O15118 2/20 0.41
LGMN Q99538 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.41
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL7141451 0.93 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ALDH1A3ALDH3A1MAPT
SCHEMBL6074588 0.83 ALDH1A3 (0.47) ALDH1A1SMN1; SMN2ALDH1A3ALDH3A1MAPT
SCHEMBL14485084 0.81 NPC1 (0.52) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL6223764 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2ALDH1A3ALDH3A1MAPT
SCHEMBL6074617 0.80 PIM1 (0.49) SMN1; SMN2MAPTNPC1RAB9AKDM1A
SCHEMBL6074612 0.80 PIM1 (0.49) SMN1; SMN2MAPTNPC1RAB9AKDM1A
SCHEMBL29728058 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ALDH1A3ALDH3A1MAPT
SCHEMBL15094164 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ALDH1A3ALDH3A1MAPT
SCHEMBL24880834 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1LGMN
SCHEMBL855383 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1LGMN

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 ALDH1A1 1091/4885SMN1; SMN2 3999/4885ALDH1A3 790/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885SMN1; SMN2 3999/4885ALDH1A3 790/4885

“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.