SCHEMBL4070256

SCHEMBL4070256

CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.59
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
FCER2 P06734 2/20 0.44

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
SCHEMBL4063159 0.83 CCR1 (0.56) CCR1
SCHEMBL4064106 0.83 CCR1 (0.56) CCR1
SCHEMBL4058892 0.82 CCR1 (0.53) CCR1
SCHEMBL7591101 0.82 CCR1 (0.53) CCR1
SCHEMBL4069710 0.81 MMP1 (0.56) CCR1MMP2MMP9MMP8
SCHEMBL4065207 0.81 CCR1 (0.45) CCR1
SCHEMBL4063348 0.81 CCR1 (0.54) CCR1MMP2MMP9MMP8
SCHEMBL4068036 0.81 REN (0.62) CCR1MMP9MMP8
SCHEMBL4066989 0.81 REN (0.62) CCR1MMP9MMP8
Hydrochloric Acid SCHEMBL9876361 0.77 METAP2 (0.59) CCR1MMP2MMP9MMP8

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 10 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 disclosed
EP-1051405-B1 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PROD INC (US) 2006-08-23 EP disclosed
US-6673801-B1 TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS PFIZER INC. 2004-01-06 US disclosed
US-20030018033-A1 Novel dihydroxyhexanoic acid derivatives KATH JOHN CHARLES (US) 2003-01-23 US 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-1051405-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-11-15 EP 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-1999040061-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-08-12 WO 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 (2 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-20030018033-A1 Novel dihydroxyhexanoic acid derivatives HCAR1, HCAR2, SLC27A1 CCR1 180/4885MMP2 3347/4885MMP9 3862/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885MMP2 4427/4885MMP9 4307/4885

“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.