SCHEMBL6074818

SCHEMBL6074818

CCCCc1ccc(S(=O)(=O)N(CC(=O)OCC)c2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.45
MAPT P10636 1/20 0.42
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR1 P21554 1/20 0.39
MLNR O43193 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6074918 0.81 HCRTR2 (0.53) HCRTR2MAPTALDH1A1POLBPKM
SCHEMBL6799938 0.81 GAA (0.44) MAPTCNR2ALDH1A1CNR1
SCHEMBL27580896 0.79 MLNR (0.43) KEAP1NFE2L2CNR2CNR1MLNR
SCHEMBL6800301 0.79 KMT2A (0.51) ALDH1A1POLB
SCHEMBL6800554 0.75 RORC (0.49) ALDH1A1
SCHEMBL6074924 0.74 ALDH1A1 (0.38) MAPTALDH1A1PTPN1
SCHEMBL6800894 0.74 HTR2A (0.46) MAPK1POLB
SCHEMBL6799112 0.73 RORC (0.45) MAPTCNR2ALDH1A1CNR1
SCHEMBL6075175 0.73 MAPT (0.47) HCRTR2MAPTKEAP1NFE2L2CNR2
SCHEMBL11848012 0.71 LIPE (0.48) MAPTALDH1A1MAPK1

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 HCRTR2 56/4885MAPT 565/4885KEAP1 1453/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HCRTR2 56/4885MAPT 565/4885KEAP1 1453/4885

“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.