SCHEMBL1801158

SCHEMBL1801158

CCOc1cnnc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
GPR119 Q8TDV5 2/20 0.37
TP53 P04637 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
ENPP1 P22413 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.33
RET P07949 1/20 0.33
DGAT1 O75907 1/20 0.33
SCD O00767 1/20 0.33
SLC2A1 P11166 1/20 0.32
ACACB O00763 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL1663632 0.93 PDE10A (0.38) PDE10AGPR119TP53PPARGPPARD
SCHEMBL10327875 0.84 PDE10A (0.40) PDE10ATP53KDM4EALDH1A1HPGD
SCHEMBL1666187 0.82 CYP1A2 (0.39) PDE10AGPR119PPARGPPARDENPP1
SCHEMBL9986408 0.82 GPR119 (0.45) GPR119TP53KDM4EALDH1A1MAPT
SCHEMBL13021438 0.81 PPARG (0.39) GPR119TP53PPARGPPARDENPP1
SCHEMBL1664257 0.80 PPARG (0.37) GPR119TP53PPARGPPARDKDM4E
SCHEMBL12796417 0.80 PPARG (0.37) GPR119TP53PPARGPPARDKDM4E
SCHEMBL10327457 0.79 ENPP1 (0.41) PDE10AGPR119TP53PPARGPPARD
Vapendavir SCHEMBL29378949 0.78 HTR3A (0.40) GPR119PPARDNR1I2SCD
SCHEMBL10327371 0.78 PPARG (0.35) GPR119TP53PPARGPPARDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303026-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2016-04-05 US disclosed
US-9303026-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2016-04-05 US disclosed
US-20140179709-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-06-26 US disclosed
US-20140179709-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-06-26 US disclosed
US-8624025-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2014-01-07 US disclosed
US-20130005736-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-03 US disclosed
US-8217171-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2012-07-10 US disclosed
US-8217171-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2012-07-10 US disclosed
US-20110212966-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-09-01 US disclosed
US-20110212966-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-09-01 US disclosed
US-20090030000-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2009-01-29 US disclosed
US-20090030000-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2009-01-29 US disclosed
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-7166604-B2 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-01-23 US disclosed
US-7166604-B2 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-01-23 US disclosed
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2004-04-22 US 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 (7 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-20070149530-A1 For treatment of picornavirus infections in mammals HAVCR2, EIF2AK2, MAVS PDE10A 4406/4885GPR119 3178/4885TP53 1325/4885
US-20090030000-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PDE10A 3451/4885GPR119 3013/4885TP53 959/4885
US-20130005736-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PDE10A 3451/4885GPR119 3013/4885TP53 959/4885
US-20110212966-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PDE10A 3451/4885GPR119 3013/4885TP53 959/4885
US-20070149531-A1 such as 7-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-4-ethoxy-cinnoline, used in the treatment of picornavirus infections in humans EIF2AK2, IFNAR1, HAVCR2 PDE10A 3955/4885GPR119 4212/4885TP53 2369/4885
US-20140179709-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PDE10A 3451/4885GPR119 3013/4885TP53 959/4885
US-20040077633-A1 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus RNASEH1, RPL35, SARS1 PDE10A 4455/4885GPR119 4321/4885TP53 725/4885

“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.