SCHEMBL6747778

SCHEMBL6747778

CCN(C)c1nc(-c2ccc(F)cc2)c(C(C)C)c(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.41
KDM5B Q9UGL1 1/20 0.41
HMGCR P04035 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE6D O43924 1/20 0.38
NR1I2 O75469 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
MAPK14 Q16539 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL10129544 0.86 KDM5B (0.41) GCGRKDM5BHMGCRALDH1A1CYP3A4
SCHEMBL13637067 0.83 KDM5B (0.40) GCGRKDM5BHMGCRALDH1A1CYP3A4
SCHEMBL6804623 0.79 HMGCR (0.55) KDM5BHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129522 0.72 GCGR (0.57) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL15024879 0.72 GCGR (0.41) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129494 0.71 GCGR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL20146246 0.71 GCGR (0.43) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL10129495 0.71 GCGR (0.43) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL15024689 0.71 GCGR (0.49) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL2217238 0.71 HMGCR (0.57) GCGRHMGCRALDH1A1CYP3A4PDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471045-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2013-06-25 US disclosed
US-8404870-B2 ((2S,4R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl)methyl carboxylate and process for the production thereof LEK PHARMACEUTICALS D.D. (SI) 2013-03-26 US disclosed
US-8354530-B2 Preparation of HMG-CoA reductase inhibitors, in particular rosuvastatin calcium, introducing L-malic acid as source of chirality for side chain; statin core moiety is consecutively coupled with chiral segment containing 4 carbon atoms and segment containing 2 carbon atoms; treating hypercholesterolemia Lek Pharmaceuticals d. d (SI) 2013-01-15 US disclosed
US-8269001-B2 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2012-09-18 US disclosed
US-20120196333-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2012-08-02 US disclosed
US-8183397-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2012-05-22 US disclosed
US-20110178295-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2011-07-21 US disclosed
US-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2011-02-24 US disclosed
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-12-04 US disclosed
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium LEK PHARMACEUTICALS D.D (SI) 2008-10-16 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-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF HMGCR, CYP4A11, CYP4B1 GCGR 2629/4885KDM5B 426/4885HMGCR 1/4885
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium HMGCR, ME1, COASY GCGR 3070/4885KDM5B 2827/4885HMGCR 1/4885
US-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY GCGR 2504/4885KDM5B 2709/4885HMGCR 1/4885
US-20120196333-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY GCGR 2504/4885KDM5B 2709/4885HMGCR 1/4885
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS GCGR 1741/4885KDM5B 1639/4885HMGCR 1/4885

“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.