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Sugi Predict / Compounds / SCHEMBL6319950

SCHEMBL6319950

SCHEMBL6319950

CC(CC(c1ccc(O)cc1)c1ccc(O)cc1)N(Cc1ccccc1)C[C@H](O)COc1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.42
▸ ADRB3 P13945 6/20 0.41
▸ ABCB1 P08183 3/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRB2 P07550 3/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ GAA P10253 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
SCHEMBL6321265 1.00 KCNH2 (0.42) KCNH2ADRB3ABCB1NR3C1ALDH1A1
SCHEMBL6321370 0.94 ADRB3 (0.43) KCNH2ADRB3ABCB1NR3C1ALDH1A1
SCHEMBL6321365 0.94 ADRB3 (0.43) KCNH2ADRB3ABCB1NR3C1ALDH1A1
SCHEMBL6321808 0.84 ADRB3 (0.47) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6322116 0.84 ADRB3 (0.47) ADRB3NR3C1ADRB2ADRB1
SCHEMBL4804593 0.78 KCNH2 (0.40) KCNH2ADRB3ABCB1NR3C1ADRB2
SCHEMBL4804580 0.78 KCNH2 (0.40) KCNH2ADRB3ABCB1NR3C1ADRB2
SCHEMBL4804569 0.78 KCNH2 (0.40) KCNH2ADRB3ABCB1NR3C1ADRB2
SCHEMBL5269410 0.77 KCNH2 (0.46) KCNH2ADRB3ABCB1NR3C1
SCHEMBL6321395 0.77 NR3C1 (0.38) ADRB3NR3C1ADRB2ADRB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 — — US claimed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 — — US claimed
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 — — US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 — — US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 — — US disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 — — EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 — — 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 (3 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KCNH2 1642/4885ADRB3 2/4885ABCB1 3793/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R KCNH2 4646/4885ADRB3 140/4885ABCB1 2056/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KCNH2 1691/4885ADRB3 2/4885ABCB1 3807/4885

“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.