SCHEMBL2675741

SCHEMBL2675741

CC(O)(CC[C@H](C[C@@H](O)[CH]Cc1cccc(F)c1)C(N)=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
CHRM2 P08172 1/20 0.44
CCR5 P51681 1/20 0.44
VNN1 O95497 1/20 0.35
RIPK1 Q13546 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC1A1 P43005 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL3825742 1.00 CCR1 (0.44) CCR1CHRM2CCR5VNN1RIPK1
SCHEMBL2675451 0.92 CCR1 (0.42) CCR1CHRM2CCR5VNN1RIPK1
SCHEMBL27608396 0.92 CCR1 (0.51) CCR1CHRM2CCR5VNN1RIPK1
SCHEMBL7688420 0.92 CCR1 (0.51) CCR1CHRM2CCR5VNN1RIPK1
SCHEMBL4389912 0.89 CCR1 (0.35) CCR1CHRM2CCR5
SCHEMBL2676714 0.88 HTR3E (0.35) CCR1CHRM2CCR5RIPK1SCN9A
SCHEMBL6168934 0.87 CCR1 (0.36) CCR1CHRM2CCR5VNN1RIPK1
SCHEMBL2675071 0.87 CCR1 (0.40) CCR1CHRM2CCR5
SCHEMBL2677146 0.86 RIPK1 (0.33) CCR1CHRM2CCR5RIPK1
SCHEMBL6166473 0.85 CCR1 (0.37) CCR1CHRM2CCR5VNN1

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 89 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-1931316-B1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS FOR ACID LABILE DRUGS SOLVAY PHARM GMBH (DE) 2010-02-17 EP claimed
EP-1404300-B1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PROD INC (US) 2009-09-30 EP claimed
US-20060204577-A1 Pharmaceutical Compositions of Drugs and Neutralized Acidic Polymers PFIZER PRODUCTS INC. 2006-09-14 US claimed
EP-1051405-B1 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PROD INC (US) 2006-08-23 EP claimed
EP-1558587-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS Pfizer Products Inc. (US) 2005-08-03 EP claimed
US-6858744-B2 Dihydoxyhexanoic acid derivatives, their intermediates, and methods of making PFIZER INC. (US) 2005-02-22 US claimed
US-20040156905-A1 Pharmaceutical compositions of semi-ordered drugs and polymers PFIZER INC. 2004-08-12 US claimed
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 US claimed
WO-2004039787-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES 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-20040019217-A1 Dihydoxyhexanoic acid derivatives, their intermediates, and methods of making PFIZER INC. 2004-01-29 US claimed
US-6673801-B1 TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS PFIZER INC. 2004-01-06 US claimed
WO-2003000235-A9 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PROD INC (US) 2003-12-24 WO claimed
US-20030104063-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers LONZA BEND INC. 2003-06-05 US claimed
US-20030091643-A1 Amorphous mixture of acid sensitive drug and addition polymer; chemical resistance, stability BEND RESEARCH, INC. 2003-05-15 US claimed
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. 2003-03-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20030104063-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885CHRM2 590/4885CCR5 4342/4885
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A CCR1 1188/4885CHRM2 2122/4885CCR5 975/4885
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-20030091643-A1 Amorphous mixture of acid sensitive drug and addition polymer; chemical resistance, stability ABCC1, ABCG2, PGD CCR1 4570/4885CHRM2 1997/4885CCR5 4616/4885
US-20060204577-A1 Pharmaceutical Compositions of Drugs and Neutralized Acidic Polymers PDE7A, CA6, PDE9A CCR1 1188/4885CHRM2 2122/4885CCR5 975/4885
US-20040019217-A1 Dihydoxyhexanoic acid derivatives, their intermediates, and methods of making HAAO, HDHD5, HPD CCR1 3063/4885CHRM2 4552/4885CCR5 1823/4885
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents CCR1, HCAR1, CCR3 CCR1 1/4885CHRM2 143/4885CCR5 12/4885

“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.