SCHEMBL177538

SCHEMBL177538

OCc1coc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
KCNH2 Q12809 1/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 2/20 0.39
AHR P35869 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL11622182 0.86 MAOB (0.63) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL4150382 0.86 KCNH2 (0.45) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL15898858 0.83 PTPN1 (0.47) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL2090916 0.81 PTPN1 (0.46) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL4452486 0.81 PTPN1 (0.50) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL15898815 0.81 PTPN1 (0.46) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL7533220 0.80 ALOX15 (0.58) KCNH2PTPN1ALDH1A1HSD17B10KDM4E
SCHEMBL27279621 0.79 MAOB (0.49) MAOBALDH1A1HSD17B10HTR1AHTR1D
SCHEMBL4134149 0.79 PTPN1 (0.44) MAOBKCNH2PTPN1ALDH1A1HSD17B10
SCHEMBL14578440 0.79 MTNR1A (0.48) KCNH2PTPN1ALDH1A1HSD17B10HTR1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (8 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 2935/4885KCNH2 2612/4885PTPN1 794/4885
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 MAOB 3603/4885KCNH2 2183/4885PTPN1 1154/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MAOB 1462/4885KCNH2 1753/4885PTPN1 3664/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOB 1641/4885KCNH2 1984/4885PTPN1 3983/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 3073/4885KCNH2 2554/4885PTPN1 809/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 MAOB 3603/4885KCNH2 2183/4885PTPN1 1154/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 MAOB 3877/4885KCNH2 2091/4885PTPN1 1484/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MAOB 1462/4885KCNH2 1753/4885PTPN1 3664/4885

“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.