SCHEMBL1600617

SCHEMBL1600617

CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 1.00
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
RHOC P08134 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56

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
SCHEMBL4730997 1.00 HMGCR (1.00) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5329246 0.99 HMGCR (0.98) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL6362203 0.97 HMGCR (1.00) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5996701 0.96 HMGCR (0.93) HMGCR
SCHEMBL5224248 0.94 HMGCR (0.88) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5223752 0.94 HMGCR (0.88) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5329253 0.93 HMGCR (0.87) HMGCR
SCHEMBL5991667 0.93 HMGCR (0.87) HMGCR
SCHEMBL6418791 0.93 HMGCR (0.87) HMGCR
SCHEMBL5994456 0.92 HMGCR (0.85) HMGCRNR1I2ABCB11RHOCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007107843-A1 METHODS OF TREATMENT WITH CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-09-27 WO claimed
US-7250444-B2 Pyrrole-based HMG-CoA reductase inhibitors PFIZER INC. (US) 2007-07-31 US claimed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 EP claimed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US claimed
EP-1656132-A2 NOVEL PYRROLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-05-17 EP claimed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO claimed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US claimed
US-20050043364-A1 Novel pyrrole-based HMG-CoA reductase inhibitors KENNEDY ROBERT MICHAEL (US) 2005-02-24 US claimed
WO-2005014539-A2 PYRROLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-17 WO claimed
EP-1994015-B1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PROD INC (US) 2013-04-24 EP disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists FELSTEAD STEPHEN JOHN 2010-10-21 US disclosed
EP-2120928-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR CCR5 ANTAGONISTS Pfizer Limited (GB) 2009-11-25 EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1656132-A2 NOVEL PYRROLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-05-17 EP disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
US-20050043364-A1 Novel pyrrole-based HMG-CoA reductase inhibitors KENNEDY ROBERT MICHAEL (US) 2005-02-24 US disclosed
WO-2005014539-A2 PYRROLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-17 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 (4 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-20050043364-A1 Novel pyrrole-based HMG-CoA reductase inhibitors HMGCR, DHCR7, HSD17B12 HMGCR 1/4885NR1I2 422/4885ABCB11 981/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HMGCR 3534/4885NR1I2 3443/4885ABCB11 3458/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HMGCR 1/4885NR1I2 268/4885ABCB11 709/4885
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists CETP, CCR5, MTTP HMGCR 4/4885NR1I2 197/4885ABCB11 67/4885

“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.