SCHEMBL772580

SCHEMBL772580

[CH2]CCN1CCCC(C)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HRH3 Q9Y5N1 10/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.44
MAOB P27338 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL737128 1.00 KDM4E (0.50) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL736713 1.00 KDM4E (0.50) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL2100158 0.94 KDM4E (0.46) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL2103279 0.94 KDM4E (0.46) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL2099496 0.87
SCHEMBL735708 0.87
SCHEMBL2099639 0.87
SCHEMBL12942 0.83 KDM4E (0.50) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL772205 0.83
SCHEMBL12449677 0.83 KDM4E (0.50) KDM4EHRH3ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
CN-1747929-B Inhibitors of the binding of chemokines i-tac or sdf-1 to the ccxckr2 receptor CHEMOCENTRYX INC 2010-04-28 CN disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
CN-1747929-A Inhibitors of the binding of chemokines i-tac or sdf-1 to the ccxckr2 receptor CHEMOCENTRYX INC (US) 2006-03-15 CN 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 KDM4E 2725/4885HRH3 4130/4885ALDH1A1 750/4885
US-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 KDM4E 1777/4885HRH3 2038/4885ALDH1A1 1579/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 KDM4E 3385/4885HRH3 1/4885ALDH1A1 2782/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885HRH3 4130/4885ALDH1A1 750/4885

“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.