SCHEMBL4556954

SCHEMBL4556954

CCCCCC1C[N]CCO1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 3/20 0.36
SPHK1 Q9NYA1 4/20 0.32
SPHK2 Q9NRA0 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAD52 P43351 1/20 0.31

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
SCHEMBL9820564 0.98 EPHX1 (0.60) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL9820594 0.94 EPHX1 (0.48) EPHX1ALDH1A1CYP1A2
SCHEMBL540949 0.86
SCHEMBL7509604 0.79 SIGMAR1 (0.40) EPHX1ALDH1A1
SCHEMBL9432642 0.79 EPHX1 (0.35) EPHX1ALDH1A1
SCHEMBL3897217 0.78 EPHX1 (0.31) EPHX1
SCHEMBL8751150 0.77
SCHEMBL8751032 0.77
SCHEMBL232761 0.77
SCHEMBL7471457 0.75 SMN1; SMN2 (0.58) EPHX1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495476-A (3-aryl-piperazin-1-yl), (2-aryl-morpholin-4-yl) and (2-aryl- thiomorpholin-4-yl) derivatives of 6,7-dialkoxyquinazoline, 6,7- dialkoxyphtalazine and 6,7-dialkoxyisoquinoline LUNDBECK & CO AS H (DK) 2009-07-29 CN disclosed
EP-2057153-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H.Lundbeck A/S (DK) 2009-05-13 EP disclosed
EP-2057153-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H.Lundbeck A/S (DK) 2009-05-13 EP disclosed
WO-2008006372-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2008-01-17 WO disclosed
WO-2008006372-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2008-01-17 WO disclosed
US-7102023-B2 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-09-05 US disclosed
US-20040220389-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-04 US disclosed
US-6693178-B2 HALOGENATED BENZYL ETHER GALACTOPYRANOSIDE, GLUCOPYRANOSIDE, RIBOFURANOSIDE OR XYLOFURANOSIDE DERIVATIVES; STABLE, EASILY REMOVED MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-02-17 US disclosed
US-20030181690-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-25 US disclosed
EP-1233970-A2 PROTECTING GROUPS USEFUL IN THE SYNTHESIS OF POLYSACCHARIDES, NATURAL PRODUCTS, AND COMBINATORIAL LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-08-28 EP disclosed
US-6426421-B1 HALOGENATED BENZYL ETHER-BASED PROTECTING GROUPS FOR FUNCTIONAL GROUPS, OF ALCOHOLS, THIOLS, AMINES, CARBOXYLIC ACIDS, AND PHOSPHORIC ACIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-07-30 US disclosed
WO-2001038337-A2 PROTECTING GROUPS USEFUL IN THE SYNTHESIS OF POLYSACCHARIDES, NATURAL PRODUCTS, AND COMBINATORIAL LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-31 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20040220389-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries FUT5, FUT6, UGCG EPHX1 982/4885ALDH1A1 1137/4885CYP1A2 2389/4885
US-20030181690-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries FUT5, FUT6, UGCG EPHX1 982/4885ALDH1A1 1137/4885CYP1A2 2389/4885

“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.