SCHEMBL2262247

SCHEMBL2262247

Cc1nc(C2CCCCC2)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
USP7 Q93009 1/20 0.34
PTGS2 P35354 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
PTGS1 P23219 1/20 0.33
TLR8 Q9NR97 1/20 0.33
IDH1 O75874 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL21009025 0.90
SCHEMBL22632134 0.82 ENPP3 (0.35) ENPP3ENPP1USP7IDH1
SCHEMBL16400229 0.81 USP7 (0.53) ENPP3ENPP1USP7HRH4TLR8
SCHEMBL19625292 0.76 L3MBTL1 (0.35) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL22632156 0.73 KDM4E (0.34) ENPP3ENPP1USP7
SCHEMBL3424196 0.70 KMO (0.35) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL5290177 0.68 NPC1 (0.42) L3MBTL1NPC1RAB9APTGS2PTGS1
SCHEMBL3363705 0.68 L3MBTL1 (0.34) L3MBTL1CTSKCTSSPSMB5
SCHEMBL3363702 0.68 ABL1 (0.34) L3MBTL1CTSKCTSSPTGS2PTGS1
SCHEMBL21163845 0.67 CHRM5 (0.38) USP7HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
WO-1999066919-A1 PHARMACEUTICAL COMPOSITION CONTAINING A SALT OF ACETAMINOPHEN AND AT LEAST ONE OTHER ACTIVE INGREDIENT MCNEIL-PPC, INC. (US) 1999-12-29 WO claimed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 L3MBTL1 3469/4885HTR1A 607/4885DRD2 1111/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 L3MBTL1 2626/4885HTR1A 170/4885DRD2 318/4885

“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.