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SCHEMBL6869999

SCHEMBL6869999

CN(C)CCCNC1=NC(=O)/C(=C/c2ccc(N3CCC4(CC3)OCCO4)cc2)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ IDE P14735 1/20 0.37
▸ DCTPP1 Q9H773 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ AVPR1A P37288 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL6870008 1.00 ALOX5 (0.42) ALOX5GRIN1GRIN2BACKR3CCR5
SCHEMBL6874548 0.89 ALOX5 (0.43) ALOX5GRIN1GRIN2BMEN1KMT2A
SCHEMBL6874555 0.89 ALOX5 (0.43) ALOX5GRIN1GRIN2BMEN1KMT2A
SCHEMBL6874111 0.85 ALOX5 (0.42) ALOX5GRIN1GRIN2BACKR3CCR5
SCHEMBL6874100 0.85 ALOX5 (0.42) ALOX5GRIN1GRIN2BACKR3CCR5
SCHEMBL7040064 0.84 ALOX5 (0.46) ALOX5GRIN1GRIN2BACKR3CCR5
SCHEMBL7039412 0.83 ALOX5 (0.49) ALOX5GRIN1GRIN2BMEN1KMT2A
SCHEMBL6876477 0.81 ALOX5 (0.47) ALOX5GRIN1GRIN2BMEN1KMT2A
SCHEMBL6876281 0.79 ALOX5 (0.45) ALOX5GRIN1GRIN2BMEN1KMT2A
SCHEMBL6876276 0.79 ALOX5 (0.45) ALOX5GRIN1GRIN2BMEN1KMT2A

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-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 — — US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 — — US disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 — — US disclosed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 — — US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 — — US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS 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-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALOX5 2437/4885GRIN1 1147/4885GRIN2B 742/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALOX5 2437/4885GRIN1 1147/4885GRIN2B 742/4885

“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.