Sugi Predict

Sugi Predict / Compounds / SCHEMBL6324149

SCHEMBL6324149

SCHEMBL6324149

Oc1ccc(C(CCN(Cc2ccccc2)C[C@H](O)COc2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ TSHR P16473 1/20 0.54
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NPC1 O15118 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ HIF1A Q16665 2/20 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
SCHEMBL7610975 1.00 POLB (0.60) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7611479 0.89 POLB (0.59) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7610705 0.89 POLB (0.59) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7688754 0.89 POLB (0.64) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7688756 0.89 POLB (0.64) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6321886 0.88 ALDH1A1 (0.63) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL6321970 0.87 ALDH1A1 (0.59) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL10346703 0.85 ALDH1A1 (0.63) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7694702 0.85 ALDH1A1 (0.64) POLBALDH1A1MAPTMAPK1GAA
SCHEMBL7694701 0.85 ALDH1A1 (0.64) POLBALDH1A1MAPTMAPK1GAA

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-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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 POLB 995/4885ALDH1A1 197/4885MAPT 1461/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 POLB 993/4885ALDH1A1 183/4885MAPT 1674/4885

“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.