SCHEMBL4574092

SCHEMBL4574092

COc1ccc(C2CCOCC2)cc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.50
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MAPT P10636 7/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PDE2A O00408 1/20 0.43
▸ CCR5 P51681 4/20 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
SCHEMBL8305176 0.74 IL2 (0.39) CCR5PDE4BPDE4APDE4CPDE4D
SCHEMBL11010923 0.73 MAPT (0.63) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL30691740 0.73 HDAC8 (0.60) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL5044211 0.72 HTT (0.44) L3MBTL1SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL30691839 0.72 HDAC8 (0.63) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL22000063 0.72 MAPT (0.81) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL30691665 0.72 HDAC8 (0.59) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL30691785 0.72 HDAC8 (0.59) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL6555026 0.72 HDAC8 (0.59) HTR6HDAC8HDAC1HDAC6MAPT
SCHEMBL4574907 0.71 EPHX1 (0.57) MAPTKMT2AMEN1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052930-A2 PREPARATION OF 4-ALK0XY-7- (TETRAHYDROPYRAN-4-YL) BENZOTHIAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
WO-2008052930-A2 PREPARATION OF 4-ALK0XY-7- (TETRAHYDROPYRAN-4-YL) BENZOTHIAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — US disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — US disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — 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 (1 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-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 HTR6 154/4885HDAC8 1596/4885HDAC1 1965/4885

“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.

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