SCHEMBL315866

SCHEMBL315866

C#CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.64
▸ PDE4B Q07343 13/20 0.64
▸ PDE4C Q08493 13/20 0.64
▸ PDE4D Q08499 13/20 0.64
▸ ADORA2A P29274 10/20 0.64
▸ ADORA2B P29275 8/20 0.64
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL316930 0.85 ADORA2B (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316171 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9120454 0.81 ADORA2B (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27464533 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381252 0.80 ADORA2A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316763 0.78 ADORA2B (1.00) ADORA2BBLM
SCHEMBL8656014 0.78 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316911 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458747 0.77 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458748 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193201-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-06-05 — — US claimed
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2011-07-14 — — US claimed
EP-2338481-A2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines Metaproteomics, LLC (US) 2011-06-29 — — EP claimed
US-7914831-B2 Alpha acids, isoalpha acids, reduced isoalpha acids, tetra-hydroisoalpha acids, hexa-hydroisoalpha acids, beta acids from hops; nontoxic METAPROTEOMICS, LLC (US) 2011-03-29 — — US claimed
CN-101690744-A synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS LLC 2010-04-07 — — CN claimed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 — — US claimed
CN-1946409-A Synergistic anti-inflammatory pharmaceutical compositions and related methods of using curcuminoids or methylxanthines METAPROTEOMICS LLC (US) 2007-04-11 — — CN claimed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 — — EP claimed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 — — WO claimed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 — — US claimed
US-9468645-B2 Highly soluble purine bioactive compounds and compositions thereof ENERGY BEVERAGES LLC 2016-10-18 — — US disclosed
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS KVK-Tech, Inc. (US) 2016-05-12 — — US disclosed
US-20150238494-A1 HIGHLY SOLUBLE PURINE BIOACTIVE COMPOUNDS AND COMPOSITIONS THEREOF ENERGY BEVERAGES LLC 2015-08-27 — — US disclosed
US-20150132440-A1 DIPEPTIDE AND TRIPEPTIDE COMPOSITIONS AND USES JHO INTELLECTUAL PROPERTY HOLDINGS, LLC 2015-05-14 — — US disclosed
EP-1718312-B1 Pharmaceutical compositions comprising hops extract derivatives and caffeine METAPROTEOMICS LLC (US) 2015-03-25 — — EP disclosed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 — — US disclosed
CN-1946409-A Synergistic anti-inflammatory pharmaceutical compositions and related methods of using curcuminoids or methylxanthines METAPROTEOMICS LLC (US) 2007-04-11 — — CN disclosed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 — — EP disclosed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 — — WO disclosed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 — — 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 (5 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-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS PDE4A 772/4885PDE4B 763/4885PDE4C 1282/4885
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS SLC18A1, RYR1, SLC6A2 PDE4A 83/4885PDE4B 80/4885PDE4C 124/4885
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES HMOX1, HMOX2, HPGDS PDE4A 772/4885PDE4B 763/4885PDE4C 1282/4885
US-20150238494-A1 HIGHLY SOLUBLE PURINE BIOACTIVE COMPOUNDS AND COMPOSITIONS THEREOF ADORA2A, PNP, P2RX6 PDE4A 122/4885PDE4B 135/4885PDE4C 167/4885
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS PDE4A 772/4885PDE4B 763/4885PDE4C 1282/4885

“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.

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