SCHEMBL563558

SCHEMBL563558

CCOC(=O)CCCn1cc(-c2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
FAAH O00519 4/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.45
TNF P01375 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDK2 Q15119 2/20 0.44
PDE5A O76074 1/20 0.43
PTPN1 P18031 1/20 0.43
CREBBP Q92793 1/20 0.43
TOP2A P11388 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
SCHEMBL10149309 0.87 L3MBTL1 (0.47) FAAHALDH1A1NAMPTL3MBTL1PDK2
SCHEMBL10439151 0.84 SMN1; SMN2 (0.55) GAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL562604 0.82 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1PDK2
SCHEMBL13434311 0.81 LMNA (0.47) GAASMN1; SMN2TNF
SCHEMBL415823 0.79 TNF (0.46) GAATNF
SCHEMBL10247836 0.77 ALDH1A1 (0.55) GAAFAAHALDH1A1TNFPDE5A
Biphenyl SCHEMBL27395713 0.76 CYP4F2 (0.54) GAAFAAHALDH1A1SMN1; SMN2PDE5A
SCHEMBL17265623 0.75 L3MBTL1 (0.44) TNFL3MBTL1
Succinic Acid Diethyl Ester SCHEMBL27940678 0.75 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2PTPN1TOP2A
SCHEMBL15453773 0.75 NR4A2 (0.44) ALDH1A1NAMPTL3MBTL1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
CN-101466714-B Purinone derivatives as HM74A agonists INCYTE CORP 2013-02-06 CN disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
CN-101466714-A Purinone derivatives as HM74A agonists INCYTE CORP (US) 2009-06-24 CN disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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 (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-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A GAA 3797/4885FAAH 756/4885ALDH1A1 641/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A GAA 3797/4885FAAH 756/4885ALDH1A1 641/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A GAA 3797/4885FAAH 756/4885ALDH1A1 641/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 GAA 2491/4885FAAH 1057/4885ALDH1A1 181/4885

“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.