SCHEMBL3531863

SCHEMBL3531863

ONC1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.50
IDO1 P14902 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
MAPT P10636 1/20 0.44
GRM7 Q14831 3/20 0.43
FYN P06241 1/20 0.41

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
SCHEMBL7838746 0.84 MTNR1A (0.61) GRIN2BCA1CA2SIGMAR1MTNR1A
Bromide SCHEMBL7336860 0.83 MTNR1A (0.59) GRIN2BCA1CA2SIGMAR1MTNR1A
SCHEMBL11145258 0.81 CDK8 (0.46) GRIN2BIDO1CA1CA2SIGMAR1
SCHEMBL13846495 0.78 GRIN2B (0.55) GRIN2BIDO1CA1CA2SIGMAR1
SCHEMBL6589968 0.78 CA1 (0.52) GRIN2BIDO1CA1CA2SIGMAR1
SCHEMBL6199794 0.75 GRIN2B (0.52) GRIN2BCA1CA2SIGMAR1MTNR1A
SCHEMBL11067202 0.75 TP53 (0.49) MAPT
SCHEMBL714537 0.74 SIGMAR1 (0.53) GRIN2BIDO1CA1CA2SIGMAR1
SCHEMBL6904134 0.74 CA1 (0.54) GRIN2BIDO1CA1CA2SIGMAR1
SCHEMBL1488586 0.74 CA1 (0.48) GRIN2BIDO1CA1CA2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
WO-2007015775-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 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 (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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S GRIN2B 2224/4885IDO1 115/4885CA1 1834/4885

“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.