SCHEMBL6074997

SCHEMBL6074997

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGS2 P35354 1/20 0.50
MAOB P27338 1/20 0.48
CYP26A1 O43174 1/20 0.44
CYP3A4 P08684 1/20 0.44
LGMN Q99538 1/20 0.44
LMNA P02545 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 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
SCHEMBL6075003 1.00 ESR1 (0.52) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11823548 0.82 MAPT (0.71) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11823556 0.82 MAPT (0.71) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6075174 0.81 CA12 (0.51) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6074274 0.81 CA12 (0.51) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1664589 0.79 TRIM24 (0.58) MAPTSMN1; SMN2ALDH1A1LGMNKDM4E
SCHEMBL7452784 0.79 PTGS2 (0.77) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7452771 0.79 PTGS2 (0.77) ESR1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1663834 0.78 KDM4E (0.53) MAPTSMN1; SMN2L3MBTL1ALDH1A1MEN1
Benzaldehyde SCHEMBL6075591 0.77 TRIM24 (0.51) MAPTSMN1; SMN2L3MBTL1ALDH1A1MEN1

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 4 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
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

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 ESR1 1806/4885MAPT 565/4885SMN1; SMN2 3999/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ESR1 1806/4885MAPT 565/4885SMN1; SMN2 3999/4885

“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.