SCHEMBL2675795

SCHEMBL2675795

CC(C)(O)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.50
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
CSNK1E P49674 1/20 0.42
REN P00797 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL6832278 0.90 CCR1 (0.58) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4064275 0.90 CCR1 (0.58) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4066887 0.89 CCR1 (0.52) CCR1LAP3ANPEPRNPEPDNPEP
Hydroxyamine SCHEMBL6688642 0.88 CCR1 (0.57) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4068331 0.87 MMP9 (0.48) CCR1RENCHRM2CCR5
SCHEMBL4066014 0.87 REN (0.44) CCR1RENHDAC1CHRM2CCR5
SCHEMBL2675073 0.87 CCR1 (0.57) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL2675110 0.84 CCR1 (0.51) CCR1RENCHRM2CCR5
SCHEMBL4062769 0.84 CCR1 (0.40) CCR1RENCHRM2CCR5
SCHEMBL4070249 0.84 SLC1A3 (0.49) LAP3ANPEPRNPEPDNPEPCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8257739-B2 low-solubility drug (especially CCR-1 inhibitors) and a concentration-enhancing polymer; drug-rich regions are interspersed throughout drug-poor, polymer-rich regions; storage stability BEND RESEARCH, INC. (US) 2012-09-04 US claimed
EP-1051405-B1 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PROD INC (US) 2006-08-23 EP claimed
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers PFIZER INC. 2004-08-12 US claimed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO claimed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US claimed
US-6673801-B1 TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS PFIZER INC. 2004-01-06 US claimed
US-20030018033-A1 Novel dihydroxyhexanoic acid derivatives KATH JOHN CHARLES (US) 2003-01-23 US claimed
EP-1051405-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-11-15 EP claimed
WO-1999040061-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-08-12 WO claimed
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2016-12-29 US disclosed
US-9468604-B2 Pharmaceutical compositions of dispersions of drug and neutral polymers BEND RESEARCH, INC. (US) 2016-10-18 US disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
EP-1269994-A2 Pharmaceutical compositions comprising drug and concentration-enhancing polymers Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-1051405-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-11-15 EP disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1999040061-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-08-12 WO disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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 (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-20030018033-A1 Novel dihydroxyhexanoic acid derivatives HCAR1, HCAR2, SLC27A1 CCR1 180/4885LAP3 2730/4885ANPEP 3642/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885LAP3 2885/4885ANPEP 4071/4885
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers ABCB1, ABCG2, PDE7A CCR1 1295/4885LAP3 3275/4885ANPEP 1839/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885LAP3 2005/4885ANPEP 2320/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885LAP3 2005/4885ANPEP 2320/4885

“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.