SCHEMBL2675753

SCHEMBL2675753

CC1CC([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(N)=O)CC(C(N)=O)O1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.45
KMT2A Q03164 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL4062297 0.88 CCR1 (0.38) CCR1
SCHEMBL4066837 0.85 CCR1 (0.40) CCR1KMT2ASIRT1
SCHEMBL4060993 0.82 CCR1 (0.36) CCR1KMT2A
SCHEMBL4065261 0.82 CCR1 (0.36) CCR1KMT2A
SCHEMBL4069721 0.82 CCR1 (0.37) CCR1KMT2ASIRT1
SCHEMBL4068860 0.79 CCR1 (0.36) CCR1KMT2ASIRT1
SCHEMBL4070982 0.78 TSHR (0.40) CCR1KMT2A
SCHEMBL4061501 0.77 CCR1 (0.39) CCR1
SCHEMBL4068201 0.74 CCR1 (0.32) CCR1
SCHEMBL4068034 0.73 CCR1 (0.58) CCR1KMT2A

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 49 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-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US 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
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 claimed
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 claimed
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
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000294-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER 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-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 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
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 (3 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 1295/4885KMT2A 2497/4885SIRT1 4315/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885KMT2A 2539/4885SIRT1 3492/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885KMT2A 4499/4885SIRT1 3438/4885

“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.