SCHEMBL6073786

SCHEMBL6073786

ON=Cc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
ALDH1A1 P00352 14/20 0.43
KDM4E B2RXH2 13/20 0.43
MAPT P10636 11/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
FURIN P09958 1/20 0.42
HPGD P15428 8/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALOX12 P18054 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
SLC2A1 P11166 1/20 0.38

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
SCHEMBL6073781 1.00 LGMN (0.47) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7138820 0.92 LGMN (0.41) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1664589 0.80 TRIM24 (0.58) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL14504004 0.78 LGMN (0.44) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5539112 0.77 LGMN (0.54) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13067710 0.76 LGMN (0.50) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6075003 0.75 ESR1 (0.52) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6074997 0.75 ESR1 (0.52) LGMNALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13855691 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
Benzaldehyde SCHEMBL6075591 0.75 TRIM24 (0.51) LGMNALDH1A1KDM4EMAPTSMN1; SMN2

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 LGMN 4736/4885ALDH1A1 1091/4885KDM4E 4266/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LGMN 4736/4885ALDH1A1 1091/4885KDM4E 4266/4885

“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.