SCHEMBL297977

SCHEMBL297977

COc1ccc2c(Cc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.81
COL1A1 P02452 2/20 0.64
BCHE P06276 4/20 0.59
ACHE P22303 4/20 0.59
PREP P48147 2/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
MAPT P10636 2/20 0.58
CHRM1 P11229 2/20 0.58
DRD2 P14416 2/20 0.58
TSHR P16473 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
RXRA P19793 2/20 0.58
DRD1 P21728 2/20 0.58
HTR2B P41595 2/20 0.58
HTT P42858 2/20 0.58
RAD52 P43351 2/20 0.58

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
Iodide SCHEMBL917200 0.99 P2RX7 (0.80) P2RX7COL1A1BCHEACHEPREP
SCHEMBL18297403 0.92 P2RX7 (0.78) P2RX7COL1A1BCHEACHEPREP
Iodide SCHEMBL917204 0.91 P2RX7 (0.78) P2RX7COL1A1BCHEACHEPREP
SCHEMBL18297410 0.90 P2RX7 (0.75) P2RX7COL1A1BCHEACHEPREP
Bromide SCHEMBL18037448 0.90 P2RX7 (0.78) P2RX7COL1A1BCHEACHEPREP
SCHEMBL12749301 0.90 P2RX7 (0.76) P2RX7COL1A1BCHEACHEPREP
Iodide SCHEMBL917749 0.90 P2RX7 (0.76) P2RX7COL1A1BCHEACHEPREP
Iodide SCHEMBL916804 0.90 P2RX7 (0.76) P2RX7COL1A1BCHEACHEPREP
SCHEMBL18058579 0.89 COL1A1 (0.80) P2RX7COL1A1BCHEACHEPREP
SCHEMBL12749306 0.89 P2RX7 (0.75) P2RX7COL1A1BCHEACHEPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
EP-2427460-B1 NOVEL ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-26 EP disclosed
EP-2427460-B1 NOVEL ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-26 EP disclosed
US-8258149-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258149-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2427460-A1 NOVEL ISOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2011-11-03 US disclosed
US-8003795-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2011-08-23 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
WO-2010128061-A1 NOVEL ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010128061-A1 NOVEL ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286396-A1 NOVEL ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
US-20100286396-A1 NOVEL ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
EP-2070926-A1 13,13a-DIHYDROBERBERINE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2009-06-17 EP disclosed
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2009-02-19 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 P2RX7 3846/4885COL1A1 2834/4885BCHE 693/4885
US-20100286396-A1 NOVEL ISOQUINOLINE DERIVATIVES CYP3A7, RAB7A, IPO7 P2RX7 669/4885COL1A1 2998/4885BCHE 3051/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 P2RX7 3342/4885COL1A1 2922/4885BCHE 653/4885
US-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS LIPC, LIPE, BCHE P2RX7 4322/4885COL1A1 4331/4885BCHE 3/4885
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, BCHE, LIPE P2RX7 4432/4885COL1A1 4475/4885BCHE 2/4885

“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.