SCHEMBL2675868

SCHEMBL2675868

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
LAP3 P28838 3/20 0.40
ANPEP P15144 3/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
REN P00797 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
SLC15A1 P46059 1/20 0.37
MMP8 P22894 1/20 0.37
CTRB1 P17538 2/20 0.37
MME P08473 1/20 0.36
CSNK1E P49674 1/20 0.36

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
SCHEMBL2675827 1.00 CCR1 (0.48) CCR1MMP1MMP2MMP3LAP3
SCHEMBL4068030 0.90 MMP2 (0.46) CCR1MMP1MMP2MMP3LAP3
SCHEMBL4072357 0.88 CCR1 (0.46) CCR1MMP1MMP2MMP3LAP3
SCHEMBL4069510 0.87 CCR1 (0.57) CCR1MMP1MMP2MMP3LAP3
SCHEMBL7581428 0.87 CCR1 (0.57) CCR1MMP1MMP2MMP3LAP3
SCHEMBL2675968 0.84 MMP1 (0.40) CCR1MMP1MMP2MMP3LAP3
SCHEMBL7590174 0.84 MMP1 (0.40) CCR1MMP1MMP2MMP3LAP3
SCHEMBL4065396 0.82 REN (0.41) CCR1MMP1MMP2MMP3LAP3
SCHEMBL4065351 0.81 LAP3 (0.38) MMP1MMP2MMP3LAP3ANPEP
SCHEMBL2918534 0.80 TSHR (0.50) CCR1ANPEPHDAC8MMP8

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 21 patents — showing the first 20. 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-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
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-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
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

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 1295/4885MMP1 3825/4885MMP2 2952/4885
US-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885MMP1 2946/4885MMP2 3198/4885
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885MMP1 2946/4885MMP2 3198/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885MMP1 4026/4885MMP2 3623/4885
US-20060204577-A1 Pharmaceutical Compositions of Drugs and Neutralized Acidic Polymers PDE7A, CA6, PDE9A CCR1 1188/4885MMP1 3160/4885MMP2 2164/4885
US-20060216351-A1 Pharmaceutical Compositions of Dispersions of Drugs and Neutral Polymers ABCB11, ABCG2, LIPA CCR1 3210/4885MMP1 4004/4885MMP2 3642/4885
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885MMP1 580/4885MMP2 1823/4885
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885MMP1 580/4885MMP2 1823/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885MMP1 4026/4885MMP2 3623/4885
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 CCR1 1715/4885MMP1 2946/4885MMP2 3198/4885

“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.