SCHEMBL2675864

SCHEMBL2675864

O=C(NO)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C1(O)CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
ANPEP P15144 2/20 0.37
TSHR P16473 1/20 0.36
MMP8 P22894 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
MME P08473 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL2675825 1.00 CCR1 (0.38) CCR1ANPEPTSHRMMP8HDAC8
SCHEMBL4068023 0.89 MMP1 (0.38) CCR1ANPEPTSHRMMP8HDAC8
SCHEMBL4072351 0.88 MMP1 (0.37) CCR1ANPEPTSHRMMP8MME
SCHEMBL2675965 0.82 TSHR (0.36) ANPEPTSHRMMP8MME
SCHEMBL7590168 0.82 TSHR (0.36) ANPEPTSHRMMP8MME
SCHEMBL2918534 0.81 TSHR (0.50) CCR1ANPEPTSHRMMP8HDAC8
SCHEMBL4065393 0.80 KLK7 (0.35) CCR1ANPEPMMP8HDAC8MME
SCHEMBL3837103 0.80 CCR1 (0.51) CCR1ANPEPTSHRMMP8HDAC8
SCHEMBL4067952 0.78 MMP8 (0.34) ANPEPTSHRMMP8HDAC8MME
SCHEMBL2675868 0.78 CCR1 (0.48) CCR1ANPEPMMP8HDAC8MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP claimed
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 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
US-8491933-B2 Pharmaceutical compositions of semi-ordered drugs and polymers BEND RESEARCH, INC. (US) 2013-07-23 US disclosed
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-20120322805-A1 PHARMACEUTICAL COMPOSITIONS OF SEMI-ORDERED DRUGS AND POLYMERS BEND RESEARCH, INC. (US) 2012-12-20 US disclosed
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers BEND RESEARCH, INC. 2012-11-22 US disclosed
US-8236328-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2012-08-07 US disclosed
US-8173142-B2 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. (US) 2012-05-08 US disclosed
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers PFIZER INC. 2009-01-08 US disclosed
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER INC 2008-11-27 US disclosed
US-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER PRODUCTS INC. 2007-06-28 US disclosed
US-20060216351-A1 Pharmaceutical Compositions of Dispersions of Drugs and Neutral Polymers PFIZER INC. 2006-09-28 US disclosed
US-20060204577-A1 Pharmaceutical Compositions of Drugs and Neutralized Acidic Polymers PFIZER PRODUCTS INC. 2006-09-14 US disclosed
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. 2003-03-20 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 (10 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-20120322805-A1 PHARMACEUTICAL COMPOSITIONS OF SEMI-ORDERED DRUGS AND POLYMERS ABCB1, ABCG2, PDE7A CCR1 1295/4885ANPEP 1839/4885TSHR 4366/4885
US-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885ANPEP 265/4885TSHR 3984/4885
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885ANPEP 265/4885TSHR 3984/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885ANPEP 2320/4885TSHR 4595/4885
US-20060204577-A1 Pharmaceutical Compositions of Drugs and Neutralized Acidic Polymers PDE7A, CA6, PDE9A CCR1 1188/4885ANPEP 217/4885TSHR 3687/4885
US-20060216351-A1 Pharmaceutical Compositions of Dispersions of Drugs and Neutral Polymers ABCB11, ABCG2, LIPA CCR1 3210/4885ANPEP 2235/4885TSHR 4540/4885
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885ANPEP 1587/4885TSHR 4702/4885
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885ANPEP 1587/4885TSHR 4702/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885ANPEP 2320/4885TSHR 4595/4885
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885ANPEP 265/4885TSHR 3984/4885

“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.