SCHEMBL2675154

SCHEMBL2675154

NC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.56
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
SLC15A1 P46059 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
CSNK1E P49674 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL6687785 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL4067461 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL7586283 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL27586171 1.00 CCR1 (0.56) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL4068618 0.99 CCR1 (0.55) CCR1TDP1EPHX1MMP1FCER2
SCHEMBL4072849 0.88 CCR1 (0.57) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4061506 0.88 LMNA (0.46) CCR1TDP1EPHX1SLC15A1ANPEP
SCHEMBL4065521 0.85 CCR1 (0.58) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4066052 0.85 CCR1 (0.42) CCR1EPHX1SLC15A1ANPEPCSNK1E
SCHEMBL4065263 0.82 CCR1 (0.46) CCR1EPHX1SLC15A1ANPEPCSNK1E

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 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-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. 2003-03-20 US disclosed
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-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
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-2003000238-A1 PHARMACEUTICAL COMPOSITIONS OF ADSORBATES OF AMORPHOUS DRUG 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 (6 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 1295/4885TDP1 930/4885EPHX1 2904/4885
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A CCR1 1188/4885TDP1 2842/4885EPHX1 2395/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885TDP1 3980/4885EPHX1 805/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885TDP1 1055/4885EPHX1 982/4885
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers ABCG2, ABCB1, MATR3 CCR1 3503/4885TDP1 755/4885EPHX1 3696/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CCR1 3350/4885TDP1 1055/4885EPHX1 982/4885

“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.