SCHEMBL2676322

SCHEMBL2676322

CC(C)(O)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1F)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.60
CHRM2 P08172 1/20 0.45
CCR5 P51681 1/20 0.45
DPP4 P27487 5/20 0.34
IL1RN P18510 2/20 0.33
ERAP2 Q6P179 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
RIPK1 Q13546 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
REN P00797 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2675110 0.88 CCR1 (0.51) CCR1CHRM2CCR5RIPK1REN
SCHEMBL2676711 0.86 CCR1 (0.47) CCR1CHRM2CCR5IL1RNERAP2
SCHEMBL4067470 0.85 CCR1 (0.44) CCR1DPP4IL1RNERAP2ERAP1
SCHEMBL2675801 0.84 CCR1 (0.47) CCR1CHRM2CCR5REN
SCHEMBL2675073 0.83 CCR1 (0.57) CCR1CHRM2CCR5IL1RNERAP2
SCHEMBL2677149 0.81 CCR1 (0.46) CCR1CHRM2CCR5DPP4RIPK1
SCHEMBL2676428 0.80 CCR1 (0.60) CCR1CHRM2CCR5DPP4RIPK1
SCHEMBL3825745 0.80 CCR1 (0.60) CCR1CHRM2CCR5DPP4RIPK1
SCHEMBL4064572 0.80 CCR1 (0.42) CCR1CHRM2CCR5DPP4CTSS
SCHEMBL7688073 0.80 CCR1 (0.51) CCR1CHRM2CCR5RIPK1ALDH1A1

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 57 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-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000292-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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-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-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 180/4885CHRM2 3772/4885CCR5 307/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885CHRM2 492/4885CCR5 10/4885
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers ABCB1, ABCG2, PDE7A CCR1 1295/4885CHRM2 2431/4885CCR5 2594/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885CHRM2 3086/4885CCR5 3538/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885CHRM2 3086/4885CCR5 3538/4885

“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.