SCHEMBL6074068

SCHEMBL6074068

O=C1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
HTR6 P50406 1/20 0.52
GFER P55789 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
PRMT1 Q99873 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6074981 0.88 CYP3A4 (0.54) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL28751618 0.86 ALDH1A1 (0.56) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6074309 0.85 MAPT (0.61) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6074070 0.83 MAPT (0.55) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6074374 0.83 POLB (0.59) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6074530 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6074493 0.83 KMT2A (0.75) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL6073863 0.82 GFER (0.77) ALDH1A1MAPTRECQLLMNAKMT2A
SCHEMBL710770 0.80 HTR3E (0.55) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6074894 0.80 KMT2A (0.54) ALDH1A1MAPTRECQLLMNAKMT2A

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 CES1 900/4885ALDH1A1 1091/4885MAPT 565/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CES1 900/4885ALDH1A1 1091/4885MAPT 565/4885

“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.